SCHEMBL457125

SCHEMBL457125

Cc1cc(F)c(N)cc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.52
TSHR P16473 3/20 0.52
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 6/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP1A2 P05177 1/20 0.48
ALOX15 P16050 1/20 0.48
CASP7 P55210 1/20 0.48
HIF1A Q16665 1/20 0.48
TERT O14746 1/20 0.41
TDP1 Q9NUW8 4/20 0.40
CASP1 P29466 1/20 0.40
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
UHRF1 Q96T88 1/20 0.37
PTK2 Q05397 1/20 0.37
ATAD2 Q6PL18 1/20 0.37
S100B P04271 1/20 0.35

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
SCHEMBL29358157 1.00 CYP3A4 (0.52) CYP3A4TSHRMAPK1ALDH1A1HSD17B10
SCHEMBL28606707 0.89 CYP3A4 (0.60) CYP3A4TSHRMAPK1ALDH1A1HSD17B10
Sulfuric Acid SCHEMBL29509683 0.87 CYP3A4 (0.41) CYP3A4TSHRMAPK1ALDH1A1HSD17B10
Sulfuric Acid SCHEMBL2917314 0.87 CYP3A4 (0.41) CYP3A4TSHRMAPK1ALDH1A1HSD17B10
SCHEMBL29791306 0.86 CYP3A4 (0.55) CYP3A4TSHRMAPK1ALDH1A1HSD17B10
SCHEMBL29502024 0.86 CYP3A4 (0.55) CYP3A4TSHRMAPK1ALDH1A1HSD17B10
SCHEMBL966908 0.86 CYP3A4 (0.55) CYP3A4TSHRMAPK1ALDH1A1HSD17B10
SCHEMBL3873719 0.86 CYP3A4 (0.55) CYP3A4TSHRMAPK1ALDH1A1HSD17B10
Sulfuric Acid SCHEMBL687086 0.85 CYP3A4 (0.39) CYP3A4TSHRMAPK1ALDH1A1HSD17B10
Sulfuric Acid SCHEMBL4825164 0.85 CYP3A4 (0.39) CYP3A4TSHRMAPK1ALDH1A1HSD17B10

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 1448 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10639257-B2 Composition for colouring keratin fibres BEAUTY & BUSINESS S.P.A. (IT) 2020-05-05 US claimed
US-20190117541-A1 COMPOSITION FOR COLOURING KERATIN FIBRES BEAUTY & BUSINESS S.P.A. (IT) 2019-04-25 US claimed
CN-108670871-A A kind of hair dye and its application method 花安堂生物科技集团有限公司 2018-10-19 CN claimed
US-9993413-B2 Keratin fibre dyeing composition BEAUTY & BUSINESS S.P.A. (IT) 2018-06-12 US claimed
US-20170258695-A1 KERATIN FIBRE DYEING COMPOSITION BEAUTY & BUSINESS S.P.A. (IT) 2017-09-14 US claimed
EP-1674075-B1 Hair colouring process comprising a cleaning step ORÉAL L (FR) 2016-07-20 EP claimed
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 EP claimed
JP-4785024-B2 2011-10-05 JP claimed
EP-1494995-B1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS PROCTER & GAMBLE (US) 2010-09-22 EP claimed
US-RE41549-E1 Dyes for keratin fibers, the dyes containing n-benzyl-p-phenylenediamine derivatives and novel n-benzyl-p-phenylenediamine derivatives WELLA AG (DE) 2010-08-24 US claimed
EP-0873109-A1 COLORANT FOR PRODUCING METAMERIC EFFECTS ON KERATIN FIBRES Wella Aktiengesellschaft (DE) 1998-10-28 EP claimed
US-5766576-A NONTOXIC DYE DEVELOPER; WASHFASTNESS, COLORFASTNESS, RED COLOR INTENSITY WELLA AKTIENGESELLSCHAFT (DE) 1998-06-16 US claimed
WO-1998020847-A1 COLORANT FOR PRODUCING METAMERIC EFFECTS ON KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 1998-05-22 WO claimed
EP-0797980-A1 Oxidation hair dye composition comprising a 2,5-diaminobenzonitrile as well as 2,5-diaminobenzonitrile compounds Wella Aktiengesellschaft (DE) 1997-10-01 EP claimed
EP-0786244-A1 Oxidation hair-dye comprising 3,4,5 triaminopyrazole derivatives, and novel 3,4,5 triaminopyrazole derivatives Wella Aktiengesellschaft (DE) 1997-07-30 EP claimed
US-5637115-A Oxidation hair dye compositions containing developers, couplers, and AZO dyes WELLA AKTIENGESELLSCHAT (DE) 1997-06-10 US claimed
EP-0502138-B1 OXIDATIVE HAIR-DYEING AGENT AND NEW 5-HALO-2,4-DIAMINOALKYLBENZENES WELLA AG (DE) 1995-09-20 EP claimed
US-5224965-A Couplers WELLA AKTIENGESELLSCHAFT (DE) 1993-07-06 US claimed
EP-0502138-A1 OXIDATIVE HAIR-DYEING AGENT AND NEW 5-HALO-2,4-DIAMINOALKYLBENZENES. WELLA AG (DE) 1992-09-09 EP claimed
WO-1992004005-A1 OXIDATIVE HAIR-DYEING AGENT AND NEW 5-HALO-2,4-DIAMINOALKYLBENZENES WELLA AKTIENGESELLSCHAFT (DE) 1992-03-19 WO claimed