SCHEMBL8367148

SCHEMBL8367148

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.49
AKR1C2 P52895 2/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.47
PTGDR2 Q9Y5Y4 6/20 0.46
PTGDR Q13258 3/20 0.45
THRB P10828 1/20 0.45
BRD4 O60885 3/20 0.43
HTT P42858 1/20 0.43
ICMT O60725 2/20 0.43
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL1775541 0.89 ATM (0.46) AKR1C3AKR1C2KDM4EALDH1A1HPGD
SCHEMBL8366324 0.85 THRB (0.47) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL9766045 0.84 MEN1 (0.51) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL8457832 0.83 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL8364439 0.83 ALDH1A1 (0.49) AKR1C3AKR1C2KDM4EALDH1A1HPGD
SCHEMBL8364438 0.81 THRB (0.43) KDM4EALDH1A1HPGDHSD17B10THRB
SCHEMBL9157244 0.81 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL15565909 0.81 THRB (0.42) KDM4EALDH1A1HPGDTHRBBRD4
SCHEMBL8366206 0.81 KDM4E (0.55) AKR1C3AKR1C2KDM4EALDH1A1HPGD
SCHEMBL9156302 0.81 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10MAPT

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
CN-1094490-C Quinolin-2 (1H) -one derivatives as serotonin antagonists SANOFI SYNTHELABO (FR) 2002-11-20 CN disclosed
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
CN-1202168-A Quinolein-2(1H)-one derivatives as serotonin antagonists SYNTHELABO (FR) 1998-12-16 CN disclosed