SCHEMBL20650288

SCHEMBL20650288

IN(c1cccc2ccccc12)c1cccc2c1sc1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.41
SIGMAR1 Q99720 4/20 0.38
ALOX5 P09917 1/20 0.37
MAPT P10636 3/20 0.36
PARP14 Q460N5 1/20 0.35
RAB9A P51151 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR1 P21554 3/20 0.32
CNR2 P34972 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MCL1 Q07820 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
SCHEMBL20650281 0.83 GPR3 (0.39) GPR3ALOX5MAPTPARP14RAB9A
SCHEMBL20650796 0.83 GPR3 (0.39) GPR3ALOX5MAPTPARP14RAB9A
SCHEMBL20650287 0.82 GPR3 (0.42) GPR3ALOX5MAPTPARP14RAB9A
SCHEMBL20172780 0.81 SIGMAR1 (0.45) GPR3SIGMAR1ALOX5MAPTPARP14
SCHEMBL23791095 0.80 SIGMAR1 (0.52) SIGMAR1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL20650282 0.80 GPR3 (0.37) GPR3ALOX5MAPTPARP14RAB9A
SCHEMBL20650284 0.80 ALOX5 (0.43) GPR3ALOX5MAPTPARP14RAB9A
SCHEMBL20650279 0.79 L3MBTL1 (0.39) GPR3ALOX5MAPTPARP14RAB9A
SCHEMBL17126439 0.78 SIGMAR1 (0.39) GPR3SIGMAR1ALOX5MAPTPARP14
SCHEMBL24472261 0.78 ALOX5 (0.41) GPR3SIGMAR1ALOX5MAPTPARP14

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
EP-3428152-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG Chem, Ltd. (KR) 2019-01-16 EP disclosed