SCHEMBL22701798

SCHEMBL22701798

c1ccc(-c2cccc(-c3ccc4sc5c(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)n7)cc6)cccc5c4c3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LIMK1 P53667 2/20 0.35
PTGER4 P35408 1/20 0.34
PIM3 Q86V86 2/20 0.32
PIM1 P11309 2/20 0.32
PIM2 Q9P1W9 2/20 0.32
TSPO P30536 1/20 0.31
PDE10A Q9Y233 1/20 0.30
ROCK1 Q13464 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
SCHEMBL22257580 0.99 ALOX5 (0.37) ALOX5KDM4EATML3MBTL1LIMK1
SCHEMBL22257598 0.97 ALOX5 (0.40) ALOX5KDM4EATML3MBTL1LIMK1
SCHEMBL22701799 0.95 ALOX5 (0.36) ALOX5KDM4EATML3MBTL1LIMK1
SCHEMBL22701838 0.95 KDM4E (0.37) ALOX5KDM4EATML3MBTL1LIMK1
SCHEMBL22257780 0.95 ALOX5 (0.41) ALOX5KDM4EATML3MBTL1LIMK1
SCHEMBL26356116 0.94 ALOX5 (0.38) ALOX5KDM4EATML3MBTL1LIMK1
SCHEMBL17232035 0.94 ALOX5 (0.38) ALOX5KDM4EATML3MBTL1LIMK1
SCHEMBL24221953 0.94 ALOX5 (0.37) ALOX5KDM4EATML3MBTL1LIMK1
SCHEMBL22701812 0.94 ALOX5 (0.37) ALOX5KDM4EATML3MBTL1LIMK1
SCHEMBL22701863 0.94 ALOX5 (0.37) ALOX5KDM4EATML3MBTL1LIMK1

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-2020235955-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 (KR) 2020-11-26 WO disclosed