The study short-listed Paratocarpin K (PubChem ID: 14187087), 3-(1H-Indol-3-yl)-2-(trimethylazaniumyl)propanoate (PubChem ID: 3861164), and 2-[(5-Benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole (PubChem ID: 6494266) from the MPD3 database as effective natural lead inhibitory molecules against VISTA protein, which is an immune checkpoint protein and is considered as a potential therapeutic target, especially for treating triple-negative breast cancer. Here, HNRNPA1 is linked to triple-negative breast carcinoma.