SCHEMBL6919295

SCHEMBL6919295

Nn1c(C2CCCCC2)cc(C2CCCCC2)cc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.42
KDM4B O94953 1/20 0.42
CHRM1 P11229 1/20 0.42
TBXA2R P21731 1/20 0.42
ADRA1A P35348 1/20 0.42
DOHH Q9BU89 1/20 0.42
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
HSP90AA1 P07900 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 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
SCHEMBL6920288 0.76 L3MBTL1 (0.53) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL6923871 0.73 L3MBTL1 (0.54) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL6922814 0.72 L3MBTL1 (0.57) CYP1A2SMN1; SMN2HSP90AA1ATMHDAC4
SCHEMBL778084 0.71 CYP11B2 (0.46) TDP1LMNAKDM4ESMN1; SMN2HIF1A
SCHEMBL6827359 0.70 PGR (0.38) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL6827158 0.70 KDM4E (0.34) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL6826222 0.70 KCNH2 (0.38) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL6827260 0.70 NOTUM (0.38) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL6823842 0.70 PDE4D (0.41) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL6923841 0.70 KAT7 (0.35) NR1I2KDM4BCHRM1TBXA2RADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004050624-A1 SUBSTITUTED 1H-PYRIDINE-2-ONE DERIVATIVES C & C RESEARCH LABORATORIES (KR) 2004-06-17 WO disclosed