SCHEMBL7985944

SCHEMBL7985944

O=C(CC1CC(CCCNC2N=CCCN2)ON1)NCC(NS(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.40
ITGA2B P08514 18/20 0.40
ITGAV P06756 6/20 0.40

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
SCHEMBL7402756 0.94 ITGB3 (0.40) ITGB3ITGA2BITGAV
SCHEMBL7406718 0.88 ITGB3 (0.41) ITGB3ITGA2BITGAV
SCHEMBL7399068 0.88 ITGB3 (0.44) ITGB3ITGA2BITGAV
SCHEMBL7398405 0.87 ITGB3 (0.43) ITGB3ITGA2BITGAV
SCHEMBL7406670 0.86 ITGB3 (0.44) ITGB3ITGA2BITGAV
SCHEMBL7407006 0.86 ITGB3 (0.43) ITGB3ITGA2BITGAV
SCHEMBL7405788 0.85 ITGB3 (0.41) ITGB3ITGA2BITGAV
SCHEMBL7403203 0.83 ITGB3 (0.40) ITGB3ITGA2BITGAV
SCHEMBL7399590 0.81 ITGB3 (0.43) ITGB3ITGA2BITGAV
SCHEMBL7402815 0.80 ITGB3 (0.46) 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