SCHEMBL7980652

SCHEMBL7980652

Cn1nc(CCCNc2ccccn2)c2ccc(C(=O)NCC(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)C(=O)O)cc21

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.61
ITGAV P06756 20/20 0.61
ITGA2B P08514 17/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7982200 0.89 ITGAV (0.61) ITGB3ITGAVITGA2B
SCHEMBL7969186 0.89 ITGAV (0.55) ITGB3ITGAVITGA2B
SCHEMBL7979100 0.89 ITGAV (0.68) ITGB3ITGAVITGA2B
SCHEMBL7982407 0.88 ITGB3 (0.67) ITGB3ITGAVITGA2B
SCHEMBL7985851 0.86 ITGB3 (0.53) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL7979079 0.85 ITGAV (0.64) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL7979082 0.85 ITGAV (0.64) ITGB3ITGAVITGA2B
SCHEMBL7979154 0.85 ITGB3 (0.51) ITGB3ITGAVITGA2B
SCHEMBL7985842 0.84 ITGB3 (0.46) ITGB3ITGAVITGA2B
SCHEMBL7982552 0.80 ITGB3 (0.44) ITGB3ITGAVITGA2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214834-B1 ANGIOGENESIS INHIBITORS; ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS DUPONT PHARMACEUTICALS COMPANY 2001-04-10 US claimed
US-6214834-B1 ANGIOGENESIS INHIBITORS; ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS DUPONT PHARMACEUTICALS COMPANY 2001-04-10 US disclosed