SCHEMBL7401190

SCHEMBL7401190

CC1Nc2ccc([N+](=O)[O-])cc2CN(CCc2ccccc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
ITGB3 P05106 6/20 0.42
ITGA2B P08514 6/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ITGAV P06756 2/20 0.42
GRIN2B Q13224 2/20 0.41
ATM Q13315 1/20 0.41
PKM P14618 1/20 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
SCHEMBL7391549 0.84 ITGB3 (0.60) ITGB3ITGA2BITGAV
SCHEMBL7391555 0.84 ITGB3 (0.60) ITGB3ITGA2BITGAV
SCHEMBL7398783 0.83 ITGB3 (0.47) ITGB3ITGA2BITGAV
SCHEMBL8398746 0.82 TAAR1 (0.44) SIGMAR1ITGB3ITGA2BITGAV
SCHEMBL7439708 0.75 ITGB3 (0.53) ITGB3ITGA2BITGAV
SCHEMBL7439717 0.75 ITGB3 (0.53) ITGB3ITGA2BITGAV
SCHEMBL7439712 0.75 ITGB3 (0.53) ITGB3ITGA2BITGAV
SCHEMBL7400528 0.73 ATM (0.41) MEN1KMT2ANPC1RAB9ASIGMAR1
SCHEMBL7400527 0.73 ATM (0.41) MEN1KMT2ANPC1RAB9ASIGMAR1
SCHEMBL7400530 0.73 ATM (0.41) MEN1KMT2ANPC1RAB9ASIGMAR1

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 6 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
US-5939412-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-08-17 US disclosed
US-5693636-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-12-02 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