SCHEMBL7979526

SCHEMBL7979526

Cc1cc(-c2ccccc2)cc(C)c1S(=O)(=O)NC(CNC(=O)c1ccc2c(cnn2CCCNc2ccccn2)c1)C(=O)O

nearest known ligand 0.91

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.91
ITGAV P06756 20/20 0.91
ITGA2B P08514 19/20 0.91

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
SCHEMBL4204480 0.95 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7985820 0.95 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7969149 0.94 ITGB3 (0.91) ITGB3ITGAVITGA2B
SCHEMBL7985909 0.90 ITGB3 (0.93) ITGB3ITGAVITGA2B
SCHEMBL7980563 0.89 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7980519 0.89 ITGB3 (0.82) ITGB3ITGAVITGA2B
SCHEMBL7986092 0.89 ITGB3 (0.80) ITGB3ITGAVITGA2B
SCHEMBL7982808 0.89 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7979502 0.86 ITGB3 (0.89) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL7982850 0.86 ITGB3 (0.85) 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