SCHEMBL22700424

SCHEMBL22700424

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3cc(-c5nc(-c6ccccc6)nc(-c6cccc7c6c6ccccc6n7-c6ccccc6)n5)ccc34)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LIMK1 P53667 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PRKDC P78527 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
SCHEMBL20754182 0.96 ALOX5 (0.37) ALOX5KDM4EATML3MBTL1LIMK1
SCHEMBL26048239 0.95 ALOX5 (0.39) ALOX5KDM4EATML3MBTL1PRKDC
SCHEMBL22257943 0.95 ALOX5 (0.36) ALOX5KDM4EATML3MBTL1LIMK1
SCHEMBL26193112 0.94 ALOX5 (0.35) ALOX5KDM4EATML3MBTL1LIMK1
SCHEMBL22700522 0.92 ALOX5 (0.35) ALOX5KDM4EATML3MBTL1LIMK1
SCHEMBL16811225 0.92 ALOX5 (0.39) ALOX5KDM4EATML3MBTL1LIMK1
SCHEMBL21964928 0.92 KDM4E (0.35) ALOX5KDM4EATML3MBTL1RXFP1
SCHEMBL22329428 0.92 KDM4E (0.38) ALOX5KDM4EATML3MBTL1LIMK1
SCHEMBL23947447 0.92 ALOX5 (0.35) ALOX5PRKDC
SCHEMBL22700426 0.92 KDM4E (0.32) ALOX5KDM4EATML3MBTL1

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-2020235976-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 (KR) 2020-11-26 WO disclosed