SCHEMBL6827346

SCHEMBL6827346

Nn1c(C2CCCCC2)cc(-c2cccc3ccccc23)cc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
CYP1B1 Q16678 1/20 0.38
PPARG P37231 4/20 0.37
PPARA Q07869 4/20 0.37
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNB3 Q05901 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALPL P05186 1/20 0.34

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 0.80 L3MBTL1 (0.53) ATMKDM4E
SCHEMBL6923871 0.78 L3MBTL1 (0.54) ATMCHRNB2CHRNB4CHRNA3
SCHEMBL6924508 0.72 L3MBTL1 (0.57) ATMGABRA1CHRNB2CHRNB4CHRNA3
SCHEMBL6827379 0.72 CYP1B1 (0.54) CYP1B1PPARGPPARACNR2CNR1
SCHEMBL6823842 0.69 PDE4D (0.41)
SCHEMBL6826222 0.69 KCNH2 (0.38) CA12CA1CA2CA9
SCHEMBL6919295 0.69 NR1I2 (0.42) ATMCA1CA2KDM4EGAA
SCHEMBL6824274 0.68 BACE1 (0.43) KDM4EGAA
SCHEMBL29866205 0.65 CA12 (0.50) ATMCYP1B1CA12CA1CA2
SCHEMBL2010178 0.65 CA12 (0.50) ATMCYP1B1CA12CA1CA2

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