SCHEMBL28948705

SCHEMBL28948705

CCc1cc(Cl)cc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CYP2A6 P11509 3/20 0.40
GPR84 Q9NQS5 1/20 0.40
ATM Q13315 1/20 0.39
CYP1A2 P05177 6/20 0.38
CYP2C19 P33261 4/20 0.38
CYP2D6 P10635 3/20 0.38
CYP2C9 P11712 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
CYP1B1 Q16678 1/20 0.37
HTR2A P28223 1/20 0.36

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
SCHEMBL15352016 0.84 L3MBTL1 (0.41) PTGS2L3MBTL1CYP2A6GPR84CYP1A2
SCHEMBL27650320 0.80 BCHE (0.43) PTGS2GPR84ALDH1A1
SCHEMBL4339469 0.80 L3MBTL1 (0.41) PTGS2L3MBTL1CYP2A6CYP1A2CYP2C19
SCHEMBL6413881 0.80 L3MBTL1 (0.41) PTGS2L3MBTL1CYP2A6CYP1A2CYP2C19
SCHEMBL28611445 0.80 L3MBTL1 (0.41) PTGS2L3MBTL1CYP2A6CYP1A2CYP2C19
SCHEMBL2769421 0.80 HTR2A (0.50) PTGS2L3MBTL1CYP2A6HIF1AHSD17B10
SCHEMBL4153142 0.79 IFNAR1 (0.45) PTGS2L3MBTL1CYP2A6HTR2A
SCHEMBL26523523 0.78 CYP2A6 (0.43) PTGS2CYP2A6CYP1A2CYP2C19CYP2D6
SCHEMBL29706450 0.78 CYP1A2 (0.52) L3MBTL1CYP2A6ATMCYP1A2CYP2C19
SCHEMBL6366270 0.78 CYP1A2 (0.57) L3MBTL1CYP2A6ATMCYP1A2CYP2C19

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
CN-115515796-A Thermosensitive recording medium 王子控股株式会社 2022-12-23 CN disclosed