SCHEMBL7982552

SCHEMBL7982552

Cn1nc(CCCNC2NC=CCN2)c2ccc(C(=O)NCC(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)C(=O)O)cc21

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.44
ITGA2B P08514 20/20 0.44
ITGAV P06756 13/20 0.44

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
SCHEMBL7985842 0.91 ITGB3 (0.46) ITGB3ITGA2BITGAV
SCHEMBL7969210 0.90 ITGAV (0.45) ITGB3ITGA2BITGAV
SCHEMBL7969304 0.89 ITGAV (0.44) ITGB3ITGA2BITGAV
SCHEMBL7985904 0.88 ITGAV (0.46) ITGB3ITGA2BITGAV
SCHEMBL7985750 0.86 ITGB3 (0.37) ITGB3ITGA2BITGAV
SCHEMBL7982540 0.84 ITGB3 (0.44) ITGB3ITGA2BITGAV
SCHEMBL7979126 0.82 ITGB3 (0.45) ITGB3ITGA2BITGAV
SCHEMBL7980509 0.82 ITGB3 (0.66) ITGB3ITGA2BITGAV
SCHEMBL7985851 0.81 ITGB3 (0.53) ITGB3ITGA2BITGAV
SCHEMBL7980652 0.80 ITGB3 (0.61) 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 2 patents. 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 claimed
US-6214834-B1 ANGIOGENESIS INHIBITORS; ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS DUPONT PHARMACEUTICALS COMPANY 2001-04-10 US disclosed