SCHEMBL21320331

SCHEMBL21320331

C1=Cc2c(n(-c3ccccc3)c3cccc(-c4ccc(-n5c6ccccc6c6c(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)cccc65)cc4)c23)CC1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ABCG2 Q9UNQ0 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
SCHEMBL21320073 0.94 ALDH1A1 (0.33) KDM4EATML3MBTL1
SCHEMBL21319877 0.91 — —
SCHEMBL21320518 0.90 KDM4E (0.32) KDM4EL3MBTL1
SCHEMBL25829189 0.89 KDM4E (0.35) KDM4EATML3MBTL1ABCG2
SCHEMBL14232819 0.89 KDM4E (0.34) KDM4EATML3MBTL1ABCG2
SCHEMBL21320358 0.86 MEN1 (0.32) —
SCHEMBL21320456 0.86 KDM4E (0.31) KDM4EATML3MBTL1
SCHEMBL21319883 0.85 ALK (0.30) —
SCHEMBL23136832 0.85 L3MBTL1 (0.35) KDM4EATML3MBTL1ABCG2
SCHEMBL17714820 0.85 L3MBTL1 (0.46) KDM4EATML3MBTL1ABCG2

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
EP-3015465-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEMICAL LTD (KR) 2019-09-04 — — EP disclosed
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