SCHEMBL7982253

SCHEMBL7982253

Cc1cc(C)c(S(=O)(=O)NC(CNC(=O)c2cccc3c(CCCNc4ncc[nH]4)nn(C)c23)C(=O)O)c(C)c1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.69
ITGB3 P05106 19/20 0.69
ITGA2B P08514 16/20 0.59
ITGB1 P05556 1/20 0.47
ITGA5 P08648 1/20 0.47

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
SCHEMBL7979356 0.95 ITGB3 (0.62) ITGAVITGB3ITGA2B
SCHEMBL7969386 0.90 ITGB3 (0.58) ITGAVITGB3ITGA2B
SCHEMBL7979281 0.88 ITGAV (0.59) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7969370 0.88 ITGB3 (0.57) ITGAVITGB3ITGA2B
SCHEMBL7969222 0.86 ITGAV (0.59) ITGAVITGB3ITGA2B
SCHEMBL7980623 0.86 ITGB3 (0.69) ITGAVITGB3ITGA2B
SCHEMBL7969234 0.84 ITGAV (0.48) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7979486 0.83 ITGB3 (0.69) ITGAVITGB3ITGA2B
SCHEMBL7982238 0.83 ITGAV (0.52) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7985902 0.82 ITGB3 (1.00) ITGAVITGB3ITGA2B

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