SCHEMBL7400527

SCHEMBL7400527

O=C1C[C@@H]2C(=O)N(CCc3ccccc3)Cc3cc([N+](=O)[O-])ccc3[C@H]2O1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
GRIN2B Q13224 4/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTR2A P28223 1/20 0.37

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
SCHEMBL7400528 1.00 ATM (0.41) ATMSIGMAR1GRIN2BPKMMEN1
SCHEMBL7400530 1.00 ATM (0.41) ATMSIGMAR1GRIN2BPKMMEN1
SCHEMBL7396300 0.84 ALDH1A1 (0.39) SIGMAR1MEN1KMT2A
SCHEMBL7396296 0.84 ALDH1A1 (0.39) SIGMAR1MEN1KMT2A
SCHEMBL7396292 0.84 ALDH1A1 (0.39) SIGMAR1MEN1KMT2A
SCHEMBL6942393 0.75 CYP3A4 (0.46) SIGMAR1GRIN2BMEN1KMT2ARAB9A
SCHEMBL6942391 0.75 CYP3A4 (0.46) SIGMAR1GRIN2BMEN1KMT2ARAB9A
SCHEMBL6942390 0.75 CYP3A4 (0.46) SIGMAR1GRIN2BMEN1KMT2ARAB9A
SCHEMBL7401190 0.73 MEN1 (0.44) ATMSIGMAR1GRIN2BPKMMEN1
SCHEMBL7398866 0.70 ATM (0.43) ATMSIGMAR1GRIN2BHTR2A

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