SCHEMBL21320518

SCHEMBL21320518

C1=Cc2c(n(-c3ccccc3)c3cccc(-c4ccc(-n5c6ccccc6c6c(-c7cccc(-c8nc(-c9ccccc9)cc(-c9ccc(-c%10ccccc%10)cc9)n8)c7)cccc65)cc4)c23)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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 0.95 ALDH1A1 (0.33) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL21319865 0.93 KDM4E (0.31) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL21320456 0.91 KDM4E (0.31) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL21320331 0.90 KDM4E (0.33) KDM4EL3MBTL1
SCHEMBL17714962 0.87 KDM4E (0.39) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL21319877 0.86 — —
SCHEMBL17714801 0.86 KDM4E (0.40) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL22058809 0.85 MEN1 (0.33) KDM4EALDH1A1MAPTHPGD
SCHEMBL19293856 0.84 KDM4E (0.36) KDM4EL3MBTL1
SCHEMBL17714842 0.84 MEN1 (0.40) KDM4EALDH1A1MAPTHPGDMAPK1

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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