SCHEMBL7399738

SCHEMBL7399738

CC1(CC(=O)O)Sc2ccc([N+](=O)[O-])cc2CN(CCc2ccccc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
SIGMAR1 Q99720 4/20 0.38
HTR2A P28223 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 1/20 0.37
GRIN2B Q13224 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
SCHEMBL7402210 0.85 PARP1 (0.39) ATMALDH1A1LMNA
SCHEMBL7399202 0.79 ATM (0.40) ATMSIGMAR1HTR2AALDH1A1MAPT
SCHEMBL7398866 0.78 ATM (0.43) ATMSIGMAR1HTR2AALDH1A1L3MBTL1
SCHEMBL7399735 0.75 ATM (0.42) ATMSIGMAR1HTR2AALDH1A1MAPT
SCHEMBL7391549 0.69 ITGB3 (0.60)
SCHEMBL7391555 0.69 ITGB3 (0.60)
SCHEMBL7401190 0.67 MEN1 (0.44) ATMSIGMAR1ALDH1A1SMN1; SMN2PKM
SCHEMBL28020837 0.66 SIGMAR1 (0.58) SIGMAR1HTR2APKMGRIN2B
SCHEMBL7399199 0.65 ATM (0.49) ATMHTR2AALDH1A1PKMLMNA
SCHEMBL7400527 0.64 ATM (0.41) ATMSIGMAR1HTR2APKMGRIN2B

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