SCHEMBL30933211

SCHEMBL30933211

[2H]c1c([2H])c([2H])c2c(-c3cccc4oc5ccccc5c34)c3c([2H])c([2H])c([2H])c([2H])c3c(Br)c2c1[2H]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ GLA P06280 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ PGAM1 P18669 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ ALOX5 P09917 2/20 0.33
▸ CDC14B O60729 1/20 0.33
▸ CDC14A Q9UNH5 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ PLK3 Q9H4B4 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ AHR P35869 2/20 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
SCHEMBL24564509 0.85 MAOA (0.39) MAOAALDH1A1KDM4EMAPTHPGD
SCHEMBL30526462 0.85 MAOA (0.39) MAOAALDH1A1KDM4EMAPTHPGD
SCHEMBL30359565 0.85 MAOA (0.33) MAOAALDH1A1HPGDHSD17B10CASP1
SCHEMBL30608462 0.84 ALOX5 (0.35) MAOAALDH1A1KDM4EMAPTHPGD
SCHEMBL30359564 0.83 ARSA (0.38) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL30525539 0.83 ALOX5 (0.39) MAOAALDH1A1KDM4EMAPTHPGD
SCHEMBL20363781 0.80 HPGD (0.46) MAOAALDH1A1KDM4EMAPTHPGD
SCHEMBL26255397 0.78 MAOA (0.36) MAOAALDH1A1KDM4EMAPTHPGD
SCHEMBL18382727 0.77 MAOA (0.33) MAOAALDH1A1KDM4EMAPTHPGD
SCHEMBL19227534 0.76 MAOA (0.41) MAOAALDH1A1KDM4EMAPTHPGD

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-2024117761-A1 COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2024-06-06 — — WO disclosed
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