SCHEMBL7399202

SCHEMBL7399202

CN1c2ccc([N+](=O)[O-])cc2CN(CCc2ccccc2)C(=O)C1(CC(=O)O)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
GRIN2B Q13224 3/20 0.38
GAA P10253 2/20 0.38
HTT P42858 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
HTR2A P28223 1/20 0.37
PKM P14618 1/20 0.37
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 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
SCHEMBL7397833 0.86 PARP1 (0.41) ALDH1A1PARP1PARP2MAPT
SCHEMBL7399738 0.79 ATM (0.40) ATMALDH1A1LMNAGRIN2BSIGMAR1
SCHEMBL7439587 0.77 BRD4 (0.39) PARP1PARP2
SCHEMBL7398372 0.72 ITGB3 (0.40)
SCHEMBL7399199 0.70 ATM (0.49) ATMALDH1A1LMNAHTTHTR2A
SCHEMBL7391555 0.68 ITGB3 (0.60)
SCHEMBL7398866 0.68 ATM (0.43) ATMALDH1A1GRIN2BGAASIGMAR1
SCHEMBL7391549 0.68 ITGB3 (0.60)
SCHEMBL7401190 0.67 MEN1 (0.44) ATMALDH1A1GRIN2BSIGMAR1PKM
SCHEMBL28020837 0.66 SIGMAR1 (0.58) GRIN2BSIGMAR1HTR2APKM

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