SCHEMBL30826543

SCHEMBL30826543

Clc1cccc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
KDM4E B2RXH2 2/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NUDT1 P36639 2/20 0.38
MCL1 Q07820 1/20 0.38
BAD Q92934 1/20 0.38
MAPK14 Q16539 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTR7 P34969 1/20 0.38
PTAFR P25105 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 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
SCHEMBL30826542 1.00 PARP1 (0.42) PARP1KDM4EGSK3AGSK3BATM
SCHEMBL21420744 1.00 PARP1 (0.42) PARP1KDM4EGSK3AGSK3BATM
SCHEMBL27012180 0.90 PARP1 (0.39) PARP1KDM4EGSK3AGSK3BKMT2A
SCHEMBL19738217 0.89 MAPK14 (0.42) PARP1KDM4EGSK3AGSK3BATM
SCHEMBL12856693 0.88 KDM4E (0.47) KDM4EATML3MBTL1ALDH1A1MAPK14
SCHEMBL25125120 0.87 MCL1 (0.42) PARP1KDM4EGSK3AGSK3BKMT2A
SCHEMBL12856700 0.86 KDM4E (0.45) KDM4EATML3MBTL1ALDH1A1MAPK14
SCHEMBL12856696 0.86 KDM4E (0.45) KDM4EATML3MBTL1ALDH1A1MAPK14
SCHEMBL31352994 0.86 KDM4E (0.47) PARP1KDM4EGSK3AGSK3BATM
SCHEMBL27012183 0.86 GSK3A (0.38) PARP1KDM4EGSK3AGSK3BL3MBTL1

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-113474331-B Compound and organic light emitting device using the same 株式会社LG化学 2024-03-15 CN disclosed