SCHEMBL8781012

SCHEMBL8781012

Nc1ccc(Cc2ccccc2)c(S)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.46
▸ BCL2 P10415 1/20 0.44
▸ BCL2L1 Q07817 1/20 0.44
▸ ALOX5 P09917 1/20 0.43
▸ MAOB P27338 6/20 0.42
▸ MAOA P21397 4/20 0.42
▸ CALM1 P0DP23 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL1514183 0.80 HTR2A (0.48) HTR2ABCL2BCL2L1ALOX5MAOB
SCHEMBL992274 0.80 CALM1 (0.50) HTR2ABCL2BCL2L1ALOX5CALM1
SCHEMBL21191112 0.78 HTR2A (0.47) HTR2ABCL2BCL2L1ALOX5MAOB
SCHEMBL14294088 0.77 HTR2A (0.46) HTR2ABCL2BCL2L1ALOX5MAOB
SCHEMBL14268291 0.77 ALOX15 (0.46) HTR2ABCL2BCL2L1ALOX5MAOB
SCHEMBL29893424 0.77 HTR2A (0.50) HTR2ABCL2BCL2L1ALOX5MAOB
SCHEMBL6198894 0.77 GAA (0.48) HTR2ABCL2BCL2L1ALOX5MAOB
SCHEMBL10703351 0.76 HTR2A (0.48) HTR2ABCL2BCL2L1ALOX5MAOB
SCHEMBL6839208 0.76 HTR2A (0.48) HTR2ABCL2BCL2L1ALOX5MAOB
SCHEMBL14421534 0.76 HTR2A (0.48) HTR2ABCL2BCL2L1ALOX5MAOB

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
EP-0589952-B1 USE OF SUPLHUR METAAMINOPHENOLS FOR DYEING KERATINIC FIBRES, TINCTORIAL COMPOSITIONS AND NOVEL COMPOUNDS OREAL (FR) 1997-08-27 — — EP claimed
US-5478359-A Applying a hair dyes L'OREAL (FR) 1995-12-26 — — US disclosed
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