SCHEMBL8781072

SCHEMBL8781072

CCc1ccc(N)cc1S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 6/20 0.41
▸ MAPT P10636 5/20 0.41
▸ HTT P42858 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CASP1 P29466 2/20 0.39
▸ PRKCI P41743 1/20 0.38
▸ ACHE P22303 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ GFER P55789 2/20 0.36
▸ TP53 P04637 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33

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
SCHEMBL23050191 0.83 GAA (0.38) GAAMAPTHTTTSHRMAPK1
SCHEMBL8781074 0.79 TYR (0.43) GAAMAPTHTTTSHRMAPK1
SCHEMBL396816 0.78 CASP1 (0.50) GAAMAPTHTTTSHRMAPK1
SCHEMBL29414153 0.78 CASP1 (0.50) GAAMAPTHTTTSHRMAPK1
SCHEMBL29738343 0.78 PRKCI (0.47) GAAMAPTHTTTSHRMAPK1
SCHEMBL395438 0.78 PRKCI (0.47) GAAMAPTHTTTSHRMAPK1
SCHEMBL5491963 0.78 CASP1 (0.50) GAAMAPTHTTTSHRMAPK1
SCHEMBL3012966 0.76 GABRA1 (0.32) —
SCHEMBL9195318 0.74 TRPA1 (0.43) MAPTMAPK1ALDH1A1TP53POLB
SCHEMBL3857715 0.74 ALDH1A1 (0.54) GAAMAPTHTTTSHRMAPK1

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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