SCHEMBL7399199

SCHEMBL7399199

CN1c2ccc([N+](=O)[O-])cc2CN(CCc2ccccc2)C(=O)C1CC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.49
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.39
PDE1C Q14123 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
RAB9A P51151 1/20 0.37
HTR2A P28223 1/20 0.37
PKM P14618 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL7397826 0.86 GLA (0.38) ATMKMT2A
SCHEMBL7439115 0.79 SRD5A1 (0.45) ALDH1A1LMNANPC1RAB9A
SCHEMBL7433926 0.79 SRD5A1 (0.45) ALDH1A1LMNANPC1RAB9A
SCHEMBL7439572 0.77 HRH4 (0.39) ALDH1A1
SCHEMBL7402539 0.77 ITGB3 (0.59)
SCHEMBL7398371 0.75 ITGB3 (0.48)
SCHEMBL7398374 0.75 ITGB3 (0.46) ALDH1A1LMNA
SCHEMBL7402544 0.75 ITGB3 (0.46) ALDH1A1LMNA
SCHEMBL7397564 0.74 ITGB3 (0.47)
SCHEMBL7397566 0.74 ITGB3 (0.47)

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 9 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-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US 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-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP disclosed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO 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