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Sugi Predict / Compounds / SCHEMBL22701799

SCHEMBL22701799

SCHEMBL22701799

c1ccc(-c2cccc(-c3ccc4sc5c(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)n7)cc6)cccc5c4c3)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ LIMK1 P53667 3/20 0.34
▸ PIM3 Q86V86 2/20 0.32
▸ PIM1 P11309 2/20 0.32
▸ PIM2 Q9P1W9 2/20 0.32
▸ PRKDC P78527 1/20 0.31
▸ AVPR1A P37288 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
SCHEMBL22701863 0.99 ALOX5 (0.37) ALOX5KDM4EATML3MBTL1LIMK1
SCHEMBL22701812 0.99 ALOX5 (0.37) ALOX5KDM4EATML3MBTL1LIMK1
SCHEMBL22701859 0.98 ALOX5 (0.38) ALOX5KDM4EATML3MBTL1LIMK1
SCHEMBL24221953 0.95 ALOX5 (0.37) ALOX5KDM4EATML3MBTL1LIMK1
SCHEMBL22701830 0.95 KDM4E (0.36) ALOX5KDM4EATML3MBTL1LIMK1
SCHEMBL22701798 0.95 ALOX5 (0.37) ALOX5KDM4EATML3MBTL1LIMK1
SCHEMBL22701858 0.95 KDM4E (0.36) ALOX5KDM4EATML3MBTL1LIMK1
SCHEMBL22257622 0.95 ALOX5 (0.40) ALOX5KDM4EATML3MBTL1LIMK1
SCHEMBL22257603 0.94 ALOX5 (0.40) ALOX5KDM4EATML3MBTL1LIMK1
SCHEMBL22257580 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