SCHEMBL22159593

SCHEMBL22159593

c1ccc(N(c2ccc(-c3ccccc3-c3cccc4c3sc3ccccc34)cc2)c2ccc(-c3cc4ccccc4c4ccccc34)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
PARP14 Q460N5 1/20 0.38
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PRKDC P78527 6/20 0.34
PIK3CD O00329 2/20 0.33
PIK3CB P42338 2/20 0.33
BRD4 O60885 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
KCNH2 Q12809 1/20 0.33
BRDT Q58F21 1/20 0.33
GPR84 Q9NQS5 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
SCHEMBL22159602 0.96 ALOX5 (0.44) ALOX5PARP14ALDH1A1HPGDL3MBTL1
SCHEMBL23822213 0.94 ALOX5 (0.49) ALOX5PARP14ALDH1A1HPGDL3MBTL1
SCHEMBL22108231 0.93 ALOX5 (0.52) ALOX5PARP14ALDH1A1HPGDL3MBTL1
SCHEMBL25628930 0.92 ALOX5 (0.41) ALOX5PARP14ALDH1A1HPGDL3MBTL1
SCHEMBL23822216 0.92 ALOX5 (0.49) ALOX5PARP14ALDH1A1HPGDL3MBTL1
SCHEMBL22159601 0.91 ALOX5 (0.43) ALOX5PARP14ALDH1A1HPGDL3MBTL1
SCHEMBL4549283 0.90 ALOX5 (0.54) ALOX5PARP14ALDH1A1HPGDL3MBTL1
SCHEMBL23822214 0.90 ALOX5 (0.45) ALOX5PARP14ALDH1A1HPGDL3MBTL1
SCHEMBL25909421 0.90 ALOX5 (0.41) ALOX5PARP14PRKDCF9S1PR4
SCHEMBL23821930 0.89 ALOX5 (0.50) ALOX5PARP14ALDH1A1HPGDL3MBTL1

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
WO-2020130327-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-06-25 WO disclosed