SCHEMBL29895263

SCHEMBL29895263

OB(O)c1cc2c3ccccc3sc2c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
GPR3 P46089 1/20 0.46
ALOX5 P09917 1/20 0.44
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
RAB9A P51151 3/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PARP14 Q460N5 1/20 0.41
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
HCRTR1 O43613 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MGLL Q99685 1/20 0.39
ALOX15 P16050 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL9107157 1.00 MAPT (0.47) MAPTGPR3ALOX5ALDH1A1L3MBTL1
SCHEMBL24457 0.83 MAPT (0.48) MAPTGPR3ALOX5ALDH1A1L3MBTL1
SCHEMBL29400549 0.83 MAPT (0.48) MAPTGPR3ALOX5ALDH1A1L3MBTL1
SCHEMBL24282106 0.81 MAPT (0.47) MAPTGPR3ALOX5ALDH1A1L3MBTL1
SCHEMBL21125999 0.80 GPR3 (0.45) MAPTGPR3ALOX5ALDH1A1L3MBTL1
SCHEMBL29307797 0.80 PARP14 (0.54) MAPTGPR3ALOX5ALDH1A1L3MBTL1
SCHEMBL24296794 0.80 MAPT (0.43) MAPTGPR3ALOX5ALDH1A1L3MBTL1
SCHEMBL29307795 0.78 PARP14 (0.52) MAPTGPR3ALOX5ALDH1A1L3MBTL1
SCHEMBL18455703 0.77 PARP14 (0.55) MAPTGPR3ALOX5ALDH1A1L3MBTL1
SCHEMBL31512203 0.77 PARP14 (0.55) MAPTGPR3ALOX5ALDH1A1L3MBTL1

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-111051318-B Compound and organic light-emitting element comprising same 株式会社LG化学 2022-07-05 CN disclosed