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SCHEMBL22700426

SCHEMBL22700426

c1ccc(-c2nc(-c3ccc4c(c3)sc3c(-c5nc(-c6ccccc6)nc(-c6ccc(-c7cccc8c7c7ccc(-c9nc(-c%10ccccc%10)nc(-c%10ccc%11c(c%10)sc%10c(-c%12nc(-c%13ccccc%13)nc(-c%13ccccc%13)n%12)cccc%10%11)n9)cc7n8-c7ccccc7)cc6)n5)cccc34)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ALOX5 P09917 1/20 0.31
▸ PTGER4 P35408 1/20 0.31

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 0.92 ALOX5 (0.37) KDM4EATML3MBTL1ALOX5
SCHEMBL22700424 0.92 ALOX5 (0.35) KDM4EATML3MBTL1ALOX5
SCHEMBL22329428 0.92 KDM4E (0.38) KDM4EATML3MBTL1ALOX5
SCHEMBL1900043 0.91 KDM4E (0.38) KDM4EATML3MBTL1ALOX5PTGER4
SCHEMBL22022430 0.91 KDM4E (0.38) KDM4EATML3MBTL1ALOX5PTGER4
SCHEMBL22257702 0.90 ALOX5 (0.37) KDM4EATML3MBTL1ALOX5PTGER4
SCHEMBL22258045 0.90 KDM4E (0.37) KDM4EATML3MBTL1ALOX5PTGER4
SCHEMBL22258063 0.90 KDM4E (0.37) KDM4EATML3MBTL1ALOX5PTGER4
SCHEMBL22258049 0.90 KDM4E (0.38) KDM4EATML3MBTL1ALOX5
SCHEMBL23947847 0.89 ALOX5 (0.38) ALOX5

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