SCHEMBL7400816

SCHEMBL7400816

NC(=NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccc3c(c2)CN(CCc2ccccc2)C(=O)[C@@H](CC(=O)O)S3)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.51
ITGA2B P08514 16/20 0.51
ITGAV P06756 2/20 0.47
KDM1A O60341 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL7393656 0.86 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL7393650 0.86 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL7433061 0.83 ITGB3 (0.74) ITGB3ITGA2BITGAV
SCHEMBL7395660 0.83 ITGB3 (0.52) ITGB3ITGA2BITGAVHDAC1HDAC8
SCHEMBL7396910 0.81 ITGB3 (0.74) ITGB3ITGA2BITGAV
SCHEMBL7400574 0.80 ITGB3 (0.46) ITGB3ITGA2BITGAVKDM1ARCOR1
SCHEMBL6675228 0.71 ITGB3 (0.75) ITGB3ITGA2B
SCHEMBL6949745 0.71 ITGB3 (0.75) ITGB3ITGA2BITGAV
SCHEMBL7602815 0.71 ITGB3 (0.75) ITGB3ITGA2BITGAV
SCHEMBL6953357 0.71 ITGB3 (0.55) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593603-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-6127359-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-10-03 US disclosed
EP-0593603-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-04-27 EP disclosed
WO-1993000095-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-07 WO disclosed