SCHEMBL7969330

SCHEMBL7969330

Cc1cc(C)c(S(=O)(=O)NC(CNC(=O)C2CC(CCCCNc3nc4ccccc4[nH]3)NO2)C(=O)O)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.52
ITGAV P06756 16/20 0.52
ITGB1 P05556 5/20 0.52
ITGA5 P08648 4/20 0.52
ITGA2B P08514 15/20 0.49

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
SCHEMBL7405357 0.91 ITGAV (0.49) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL7405983 0.88 ITGB3 (0.52) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL7980567 0.88 ITGB3 (0.51) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL7405451 0.88 ITGB3 (0.52) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL7985993 0.85 ITGB3 (0.52) ITGB3ITGAVITGA2B
SCHEMBL7986014 0.85 ITGB3 (0.67) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL7982182 0.85 ITGB3 (0.48) ITGB3ITGAVITGA2B
SCHEMBL7403109 0.85 ITGB3 (0.66) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL7405981 0.82 ITGB3 (0.74) ITGB3ITGAVITGA2B
SCHEMBL7407086 0.80 ITGB3 (0.46) ITGB3ITGAVITGB1ITGA5ITGA2B

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 1 patent. 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 disclosed