SCHEMBL7401121

SCHEMBL7401121

COC(=O)CN1Cc2cc(NC(=O)c3ccc(C(N)=NC(=O)OCc4ccccc4)cc3)ccc2NCC1=O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.57
ITGA2B P08514 10/20 0.57
ITGAV P06756 2/20 0.38
KDM1A O60341 2/20 0.35
RCOR1 Q9UKL0 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FLT1 P17948 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35
ACHE P22303 1/20 0.34
MAOA P21397 1/20 0.34
KDM1B Q8NB78 1/20 0.34

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
SCHEMBL7401636 0.87 ITGB3 (0.56) ITGB3ITGA2BITGAVKDM1ARCOR1
SCHEMBL7401120 0.84 ITGB3 (0.58) ITGB3ITGA2BITGAVKDM1ARCOR1
SCHEMBL7401125 0.83 ITGB3 (0.51) ITGB3ITGA2BALDH1A1MAPTSMN1; SMN2
SCHEMBL7402324 0.74 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7433061 0.73 ITGB3 (0.74) ITGB3ITGA2BITGAV
SCHEMBL7401634 0.72 ITGB3 (0.56) ITGB3ITGA2BITGAVKDM1ARCOR1
SCHEMBL8402612 0.72 GPBAR1 (0.31) ITGB3ITGA2BMAPT
SCHEMBL7401638 0.71 ITGB3 (0.50) ITGB3ITGA2BITGAVKDM1ARCOR1
SCHEMBL7402333 0.71 ITGB3 (0.74) ITGB3ITGA2BITGAVACHE
SCHEMBL14374089 0.70 KMT2A (0.43) ITGB3ITGA2BALDH1A1MAPTHPGD

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 3 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
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