SCHEMBL9356557

SCHEMBL9356557

N#Cc1c(Cc2ccccc2)cc[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 4/20 0.42
HPGD P15428 1/20 0.42
MCL1 Q07820 1/20 0.40
BRD4 O60885 1/20 0.39
FPR1 P21462 1/20 0.39
HSD17B10 Q99714 1/20 0.38
HSD11B1 P28845 2/20 0.37
ACMSD Q8TDX5 1/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PNP P00491 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL11021852 0.84 PNP (0.40) CYP3A4CYP2C19KDM4EHPGDMCL1
SCHEMBL11023987 0.84 DAO (0.42) KDM4EMCL1HSD11B1MAPTMEN1
SCHEMBL11021805 0.83 KDM4E (0.45) KDM4EHPGDMCL1BRD4HSD17B10
SCHEMBL11026202 0.83 KDM4E (0.56) KDM4EHPGDBRD4HSD17B10MAPT
SCHEMBL11018470 0.83 PDE4A (0.46) KDM4EHPGDPNP
SCHEMBL9360278 0.81 HTR1A (0.43)
SCHEMBL11020707 0.81 PDE3B (0.40) KDM4EHPGDGLAMAPTMEN1
SCHEMBL11021760 0.80 DAO (0.44) KDM4EHPGDGLANPSR1MEN1
SCHEMBL11017727 0.78 PNP (0.43) KDM4EHPGDMCL1MAPTPNP
SCHEMBL9360304 0.77 AR (0.44) KDM4EHPGDMCL1HSD17B10HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0625144-A1 PYRIDONE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1994-11-23 EP disclosed
EP-0154190-A1 Pyridones MERCK PATENT GmbH (DE) 1985-09-11 EP disclosed