SCHEMBL7596374

SCHEMBL7596374

CN1c2ccc(C(=O)Nc3ccc(C=NN)cc3)cc2CN(c2ccccc2)C(=O)C1CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.40
ITGA2B P08514 9/20 0.40
ITGAV P06756 6/20 0.40
BRD4 O60885 1/20 0.37
MAPT P10636 5/20 0.36
MEN1 O00255 2/20 0.36
TP53 P04637 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL7596369 0.87 ITGB3 (0.53) ITGB3ITGA2BITGAVBRD4
SCHEMBL7595704 0.87 ITGB3 (0.54) ITGB3ITGA2BITGAVMAPTTP53
SCHEMBL7399604 0.82 ITGB3 (0.52) ITGB3ITGA2BITGAVALDH1A1HPGD
SCHEMBL7402544 0.74 ITGB3 (0.46) ITGB3ITGA2BITGAVALDH1A1HPGD
SCHEMBL7395726 0.73 ITGB3 (0.69) ITGB3ITGA2BITGAV
SCHEMBL7595687 0.73 ITGB3 (0.69) ITGB3ITGA2BITGAV
SCHEMBL7594819 0.71 ITGB3 (0.78) ITGB3ITGA2BITGAV
SCHEMBL7397921 0.71 ITGB3 (0.49) ITGB3ITGA2BITGAVBRD4MAPT
SCHEMBL6952593 0.70 ITGB3 (0.77) ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL3042381 0.69 ITGB3 (0.76) 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