SCHEMBL7982508

SCHEMBL7982508

Cc1cccc(C)c1S(=O)(=O)NC(CNC(=O)c1ccc2c(cnn2CCCNC2NCCN2)c1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.71
ITGAV P06756 20/20 0.71
ITGA2B P08514 20/20 0.71

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
SCHEMBL7982830 0.94 ITGB3 (0.74) ITGB3ITGAVITGA2B
SCHEMBL7979517 0.94 ITGB3 (0.72) ITGB3ITGAVITGA2B
SCHEMBL7982270 0.91 ITGB3 (0.71) ITGB3ITGAVITGA2B
SCHEMBL7979054 0.91 ITGB3 (0.66) ITGB3ITGAVITGA2B
SCHEMBL7349374 0.90 ITGB3 (0.70) ITGB3ITGAVITGA2B
SCHEMBL7979050 0.89 ITGB3 (0.66) ITGB3ITGAVITGA2B
SCHEMBL7980538 0.89 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL7985857 0.88 ITGB3 (0.71) ITGB3ITGAVITGA2B
SCHEMBL7986101 0.85 ITGAV (0.64) ITGB3ITGAVITGA2B
SCHEMBL7982502 0.85 ITGB3 (0.90) 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