SCHEMBL6924372

SCHEMBL6924372

O=c1cc(-n2cccn2)cc(C2CCCCC2)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
RAB9A P51151 1/20 0.41
HCRTR1 O43613 4/20 0.36
HCRTR2 O43614 4/20 0.36
KAT7 O95251 1/20 0.36
CYP1B1 Q16678 1/20 0.35
CHRM1 P11229 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
NOTUM Q6P988 1/20 0.33
HRH3 Q9Y5N1 3/20 0.33
CHEK2 O96017 1/20 0.32
AVPR2 P30518 1/20 0.32
FASN P49327 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
USP30 Q70CQ3 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL6917984 0.81 NOTUM (0.39) HCRTR1HCRTR2KAT7CYP1B1NOTUM
SCHEMBL6827915 0.76 CYP11B1 (0.41) LMNAKDM4EALDH1A1MAPK1
SCHEMBL6923841 0.72 KAT7 (0.35) LMNARAB9AHCRTR1HCRTR2KAT7
SCHEMBL7425143 0.69 NOTUM (0.51) KDM4EALDH1A1MAPK1NOTUMHRH3
SCHEMBL6827232 0.69 HTT (0.44) LMNAHRH3
SCHEMBL6922673 0.68 NR2E1 (0.36) CYP1B1USP30
SCHEMBL6827665 0.68 CYP1B1 (0.41) CYP1B1NOTUMGAAMAPTKMT2A
SCHEMBL6827332 0.68 NPC1 (0.44) RAB9ACYP1B1
SCHEMBL6823986 0.67 PDE3B (0.34) CYP1B1
SCHEMBL6924757 0.67 P4HTM (0.34) CYP1B1

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