SCHEMBL24152104

SCHEMBL24152104

c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6c7ccccc7ccc65)cc4)cc3)nc(-c3cccc4c3sc3ccccc34)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
KDM4E B2RXH2 2/20 0.31
ATM Q13315 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CB P42338 1/20 0.31
PRKDC P78527 1/20 0.31
PARP14 Q460N5 1/20 0.30

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
SCHEMBL24154394 0.99 ALOX5 (0.37) ALOX5KDM4EATML3MBTL1ALDH1A1
SCHEMBL24154978 0.95 ALOX5 (0.38) ALOX5KDM4EATML3MBTL1ALDH1A1
SCHEMBL17178547 0.94 ALOX5 (0.39) ALOX5KDM4EATML3MBTL1ALDH1A1
SCHEMBL24154410 0.93 ALOX5 (0.36) ALOX5MAPTPRKDCCYP1A1CYP1B1
SCHEMBL25964890 0.92 ALOX5 (0.39) ALOX5KDM4EATML3MBTL1HSD17B10
SCHEMBL24151813 0.91 ALOX5 (0.35) ALOX5KDM4EATML3MBTL1ALDH1A1
SCHEMBL23602137 0.91 ALOX5 (0.37) ALOX5KDM4EATML3MBTL1PIK3CD
SCHEMBL24151997 0.91 ALOX5 (0.36) ALOX5KDM4EATML3MBTL1ALDH1A1
SCHEMBL16811575 0.91 ALOX5 (0.38) ALOX5KDM4EATML3MBTL1PIK3CD
SCHEMBL23039561 0.91 ALOX5 (0.39) ALOX5KDM4EATML3MBTL1HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021261962-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2021-12-30 WO disclosed
WO-2021261907-A1 ORGANIC LIGHT EMITTING DEVICE 주식회사 엘지화학 2021-12-30 WO disclosed
WO-2021261977-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2021-12-30 WO disclosed