SCHEMBL7982740

SCHEMBL7982740

O=C(O)C(CNC(=O)C1CC(CCCCNc2ncc[nH]2)=NO1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.67
ITGA2B P08514 19/20 0.67
ITGAV P06756 19/20 0.67

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
SCHEMBL7404994 0.96 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL7402813 0.94 ITGB3 (0.63) ITGB3ITGA2BITGAV
SCHEMBL7396789 0.91 ITGB3 (0.64) ITGB3ITGA2BITGAV
SCHEMBL7402215 0.89 ITGB3 (0.69) ITGB3ITGA2BITGAV
SCHEMBL7982675 0.85 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL7406614 0.85 ITGB3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL7404952 0.84 ITGB3 (0.66) ITGB3ITGA2BITGAV
SCHEMBL7979235 0.83 ITGB3 (0.67) ITGB3ITGA2BITGAV
SCHEMBL7405908 0.82 ITGB3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL7405721 0.82 ITGB3 (0.69) 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 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