SCHEMBL7595704

SCHEMBL7595704

CN1c2ccc(C(=O)Nc3ccc(C=NN)cc3)cc2CN(CCc2ccccc2)C(=O)C1CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.54
ITGA2B P08514 17/20 0.54
ITGAV P06756 3/20 0.54
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL7399604 0.95 ITGB3 (0.52) ITGB3ITGA2BITGAVSMN1; SMN2HDAC1
SCHEMBL7595687 0.87 ITGB3 (0.69) ITGB3ITGA2BITGAV
SCHEMBL7395726 0.87 ITGB3 (0.69) ITGB3ITGA2BITGAV
SCHEMBL7402544 0.87 ITGB3 (0.46) ITGB3ITGA2BITGAVSMN1; SMN2HDAC1
SCHEMBL7596374 0.87 ITGB3 (0.40) ITGB3ITGA2BITGAVTP53MAPT
SCHEMBL7397921 0.84 ITGB3 (0.49) ITGB3ITGA2BITGAVTP53MAPT
SCHEMBL7438524 0.83 ITGB3 (0.56) ITGB3ITGA2BITGAVSMN1; SMN2HDAC1
SCHEMBL7438528 0.83 ITGB3 (0.56) ITGB3ITGA2BITGAVSMN1; SMN2HDAC1
SCHEMBL7594819 0.83 ITGB3 (0.78) ITGB3ITGA2BITGAV
SCHEMBL7397591 0.83 ITGB3 (0.68) 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
EP-0593603-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed