SCHEMBL7982175

SCHEMBL7982175

Cn1nc(CCCNc2ccccn2)c2cccc(C(=O)NCC(NS(=O)(=O)c3c(Cl)cccc3Cl)C(=O)O)c21

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 18/20 0.47
ITGB3 P05106 16/20 0.47
ITGA2B P08514 11/20 0.47
ITGB1 P05556 3/20 0.42
ITGA5 P08648 3/20 0.42

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
SCHEMBL7982238 0.92 ITGAV (0.52) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7979281 0.90 ITGAV (0.59) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7979154 0.89 ITGB3 (0.51) ITGAVITGB3ITGA2B
SCHEMBL7969386 0.87 ITGB3 (0.58) ITGAVITGB3ITGA2B
SCHEMBL7969186 0.86 ITGAV (0.55) ITGAVITGB3ITGA2B
SCHEMBL7980547 0.85 ITGAV (0.47) ITGAVITGB3ITGA2B
SCHEMBL7980561 0.83 ITGAV (0.45) ITGAVITGB3ITGA2B
SCHEMBL7349313 0.80 ITGAV (0.62) ITGAVITGB3ITGA2B
SCHEMBL7979138 0.80 ITGAV (0.42) ITGAVITGB3ITGA2B
SCHEMBL7979143 0.80 ITGAV (0.42) 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 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