SCHEMBL7969290

SCHEMBL7969290

Cc1cc(-c2ccccc2)cc(C)c1S(=O)(=O)NC(CNC(=O)c1ccc2c(CCCNC3N=CCCN3)n[nH]c2c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.43
ITGA2B P08514 15/20 0.43
ITGAV P06756 14/20 0.43
ITGB1 P05556 1/20 0.37
ITGA5 P08648 1/20 0.37

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
SCHEMBL7979123 0.90 ITGB3 (0.47) ITGB3ITGA2BITGAV
SCHEMBL7969254 0.89 ITGB3 (0.46) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL7982169 0.88 ITGB3 (0.41) ITGB3ITGA2BITGAV
SCHEMBL7982790 0.87 ITGB3 (0.41) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL7349880 0.85 MAPK3 (0.31)
SCHEMBL7969293 0.85 ITGB3 (0.43) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL7969247 0.82 ITGAV (0.57) ITGB3ITGA2BITGAV
SCHEMBL7969226 0.81 ITGAV (0.58) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL7969205 0.81 ITGAV (0.45) ITGB3ITGA2BITGAV
SCHEMBL7985901 0.81 ITGAV (0.47) ITGB3ITGA2BITGAV

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