SCHEMBL30525545

SCHEMBL30525545

[2H]c1c([2H])c([2H])c2c(-c3ccc4oc5cc6ccccc6cc5c4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(Br)c2c1[2H]

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ AHR P35869 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ PLA2G2A P14555 1/20 0.30
▸ PLA2G4A P47712 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
SCHEMBL31174235 0.87 MAPT (0.42) NPC1MAPTAHRKDM4EMEN1
SCHEMBL22253287 0.86 KDM4E (0.37) MAOBNPC1MAPTAHRKDM4E
SCHEMBL18842432 0.85 KDM4E (0.34) NPC1MAPTAHRKDM4EMEN1
SCHEMBL31174237 0.84 ABCG2 (0.37) NPC1MAPTAHRKDM4EHPGD
SCHEMBL30929675 0.82 AHR (0.42) NPC1MAPTAHRKDM4EMEN1
SCHEMBL21450847 0.81 KDM4E (0.42) NPC1MAPTAHRKDM4EMEN1
SCHEMBL16067677 0.81 KDM4E (0.42) NPC1MAPTAHRKDM4EMEN1
SCHEMBL845278 0.79 CYP2A6 (0.39) NPC1MAPTKDM4EMEN1ALDH1A1
SCHEMBL21450763 0.79 ESR1 (0.41) NPC1MAPTAHRKDM4EMEN1
SCHEMBL21435737 0.79 KDM4E (0.41) NPC1MAPTAHRKDM4EMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118488955-A Compound and organic light-emitting element comprising same 株式会社LG化学 2024-08-13 — — CN disclosed
CN-116783173-A Compound and organic light emitting device comprising the same 株式会社LG化学 2023-09-19 — — CN disclosed
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