SCHEMBL7986199

SCHEMBL7986199

Cc1nc(NCCCCC2CC(C(=O)NCC(NS(=O)(=O)c3c(Cl)cc(-c4ccccc4)cc3Cl)C(=O)O)NO2)[nH]c1C

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.54
ITGAV P06756 17/20 0.54
ITGA2B P08514 17/20 0.54

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
SCHEMBL7985872 0.94 ITGB3 (0.55) ITGB3ITGAVITGA2B
SCHEMBL7985955 0.93 ITGB3 (0.52) ITGB3ITGAVITGA2B
SCHEMBL7404043 0.90 ITGB3 (0.52) ITGB3ITGAVITGA2B
SCHEMBL7399085 0.89 ITGB3 (0.56) ITGB3ITGAVITGA2B
SCHEMBL7406689 0.89 ITGB3 (0.50) ITGB3ITGAVITGA2B
SCHEMBL7397410 0.88 ITGB3 (0.53) ITGB3ITGAVITGA2B
SCHEMBL7406862 0.88 ITGB3 (0.53) ITGB3ITGAVITGA2B
SCHEMBL7969265 0.86 ITGB3 (0.72) ITGB3ITGAVITGA2B
SCHEMBL7403051 0.86 ITGB3 (0.55) ITGB3ITGAVITGA2B
SCHEMBL7982469 0.83 ITGB3 (0.56) 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 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