SCHEMBL8366153

SCHEMBL8366153

Cn1c(=O)cc(CCCl)c2cc(F)ccc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
BRD4 O60885 6/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KCNH2 Q12809 2/20 0.39
XIAP P98170 1/20 0.38
MEN1 O00255 1/20 0.38
HCRTR1 O43613 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 4/20 0.37
NQO2 P16083 1/20 0.37
ALDH1A1 P00352 2/20 0.37
ICMT O60725 1/20 0.36
CNR1 P21554 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL8364438 0.85 THRB (0.43) THRBBRD4HTTATMRXFP1
SCHEMBL8369444 0.84 ALDH1A1 (0.45) THRBHTTRXFP1KCNH2HCRTR1
SCHEMBL15565909 0.82 THRB (0.42) THRBBRD4HTTATMRXFP1
SCHEMBL8367148 0.78 AKR1C3 (0.49) THRBBRD4HTTRXFP1KDM4E
SCHEMBL23579635 0.76 ATM (0.45) THRBBRD4HTTATMRXFP1
SCHEMBL30099717 0.76 ATM (0.45) THRBBRD4HTTATMRXFP1
SCHEMBL8366324 0.75 THRB (0.47) THRBBRD4HTTATMRXFP1
SCHEMBL15564817 0.74 NQO2 (0.61) ATMMEN1HCRTR1KMT2AKDM4E
SCHEMBL13440436 0.73 KDM4E (0.50) THRBBRD4ATMRXFP1MEN1
SCHEMBL30099642 0.73 KDM4E (0.50) THRBBRD4ATMRXFP1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850235-B1 QUINOLEIN-2(1H)-ONE DERIVATIVES AS SEROTONIN ANTAGONISTS SANOFI SYNTHELABO (FR) 1999-12-01 EP disclosed
US-5958924-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS, RESTENOSIS, ANTICOALUGANTS, RESPIRATORY SYSTEM DISORDERS SYNTHELABO (FR) 1999-09-28 US disclosed
EP-0850235-A1 QUINOLEIN-2(1H)-ONE DERIVATIVES AS SEROTONIN ANTAGONISTS SYNTHELABO (FR) 1998-07-01 EP disclosed
WO-1997010238-A1 QUINOLEIN-2(1H)-ONE DERIVATIVES AS SEROTONIN ANTAGONISTS SYNTHELABO (FR) 1997-03-20 WO disclosed