SCHEMBL7985955

SCHEMBL7985955

Cc1nc(NCCCCC2CC(C(=O)NCC(NS(=O)(=O)c3c(Cl)cccc3Cl)C(=O)O)NO2)[nH]c1C

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.52
ITGAV P06756 17/20 0.52
ITGA2B P08514 16/20 0.52

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
SCHEMBL7986199 0.93 ITGB3 (0.54) ITGB3ITGAVITGA2B
SCHEMBL7406689 0.90 ITGB3 (0.50) ITGB3ITGAVITGA2B
SCHEMBL7985872 0.90 ITGB3 (0.55) ITGB3ITGAVITGA2B
SCHEMBL7397410 0.89 ITGB3 (0.53) ITGB3ITGAVITGA2B
SCHEMBL7399265 0.89 ITGB3 (0.54) ITGB3ITGAVITGA2B
SCHEMBL7982239 0.88 ITGAV (0.53) ITGB3ITGAVITGA2B
SCHEMBL7403051 0.88 ITGB3 (0.55) ITGB3ITGAVITGA2B
SCHEMBL7404043 0.88 ITGB3 (0.52) ITGB3ITGAVITGA2B
SCHEMBL7399454 0.87 ITGB3 (0.51) ITGB3ITGAVITGA2B
SCHEMBL7401808 0.86 ITGB3 (0.70) 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