SCHEMBL20650281

SCHEMBL20650281

Cc1ccccc1N(I)c1cccc2c1sc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.39
MAPT P10636 3/20 0.39
PARP14 Q460N5 1/20 0.37
ALDH1A1 P00352 5/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
ALOX5 P09917 1/20 0.36
HCRTR1 O43613 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 2/20 0.35
ATM Q13315 1/20 0.35
KDM4E B2RXH2 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
CYP2D6 P10635 1/20 0.33
HRH1 P35367 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PLAU P00749 1/20 0.33

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
SCHEMBL20650779 0.87 MAPT (0.38) GPR3MAPTPARP14ALDH1A1L3MBTL1
SCHEMBL20172866 0.83 GPR3 (0.41) GPR3MAPTPARP14ALDH1A1L3MBTL1
SCHEMBL20650288 0.83 GPR3 (0.41) GPR3MAPTPARP14ALDH1A1L3MBTL1
SCHEMBL23967805 0.82 GABRA1 (0.36)
SCHEMBL20650282 0.82 GPR3 (0.37) GPR3MAPTPARP14ALDH1A1L3MBTL1
SCHEMBL20650796 0.81 GPR3 (0.39) GPR3MAPTPARP14ALDH1A1L3MBTL1
SCHEMBL20650287 0.81 GPR3 (0.42) GPR3MAPTPARP14ALDH1A1L3MBTL1
SCHEMBL20650279 0.81 L3MBTL1 (0.39) GPR3MAPTPARP14ALDH1A1L3MBTL1
SCHEMBL22857648 0.80 GPR3 (0.45) GPR3MAPTPARP14ALDH1A1L3MBTL1
SCHEMBL20650284 0.79 ALOX5 (0.43) GPR3MAPTPARP14ALOX5RAB9A

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
EP-3351523-B1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEMICAL LTD (KR) 2020-11-04 EP disclosed
EP-3428152-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG Chem, Ltd. (KR) 2019-01-16 EP disclosed