SCHEMBL22159602

SCHEMBL22159602

c1ccc(N(c2ccc(-c3ccccc3-c3cccc4c3sc3ccccc34)cc2)c2cccc(-c3cc4ccccc4c4ccccc34)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
PARP14 Q460N5 1/20 0.35
PRKDC P78527 5/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP11B1 P15538 1/20 0.33
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
F9 P00740 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
MPI P34949 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL22159593 0.96 ALOX5 (0.45) ALOX5PARP14PRKDCALDH1A1HPGD
SCHEMBL23471933 0.94 ALOX5 (0.50) ALOX5PARP14PRKDCALDH1A1HPGD
SCHEMBL23821930 0.94 ALOX5 (0.50) ALOX5PARP14PRKDCALDH1A1HPGD
SCHEMBL23822214 0.92 ALOX5 (0.45) ALOX5PARP14PRKDCALDH1A1HPGD
SCHEMBL23822213 0.92 ALOX5 (0.49) ALOX5PARP14PRKDCALDH1A1HPGD
SCHEMBL23447802 0.91 ALOX5 (0.47) ALOX5PARP14PRKDCALDH1A1HPGD
SCHEMBL23447768 0.91 ALOX5 (0.47) ALOX5PARP14PRKDCALDH1A1HPGD
SCHEMBL23225255 0.91 ALOX5 (0.47) ALOX5PARP14PRKDCALDH1A1HPGD
SCHEMBL25628930 0.90 ALOX5 (0.41) ALOX5PARP14PRKDCALDH1A1HPGD
SCHEMBL25579309 0.90 ALOX5 (0.42) ALOX5PRKDCGPR84LIMK1

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