SCHEMBL33872

SCHEMBL33872

Cc1cc(N(C)C)ccc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.61
APAF1 O14727 1/20 0.56
ALDH1A1 P00352 7/20 0.52
CYP3A4 P08684 7/20 0.52
TDP1 Q9NUW8 6/20 0.52
TSHR P16473 5/20 0.52
ALOX15 P16050 4/20 0.48
MAPK1 P28482 2/20 0.48
TP53 P04637 2/20 0.48
MAPT P10636 1/20 0.47
HSD17B10 Q99714 1/20 0.46
TERT O14746 1/20 0.41
APP P05067 1/20 0.41
SKP2 Q13309 1/20 0.39
CRHR1 P34998 1/20 0.39
THRB P10828 2/20 0.38
RECQL P46063 1/20 0.38
HIF1A Q16665 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL29442599 1.00 S100B (0.61) S100BAPAF1ALDH1A1CYP3A4TDP1
Hydrochloric Acid SCHEMBL9293613 0.98 S100B (0.59) S100BAPAF1ALDH1A1CYP3A4TDP1
SCHEMBL11579110 0.82 S100B (0.86) S100BAPAF1ALDH1A1CYP3A4TDP1
SCHEMBL14495757 0.81 S100B (0.67) S100BAPAF1ALDH1A1CYP3A4TDP1
SCHEMBL2367265 0.81 APAF1 (0.56) S100BAPAF1ALDH1A1CYP3A4TDP1
SCHEMBL10955324 0.80 S100B (0.60) S100BAPAF1ALDH1A1CYP3A4TDP1
SCHEMBL29740664 0.80 S100B (0.60) S100BAPAF1ALDH1A1CYP3A4TDP1
SCHEMBL2313495 0.80 ALDH1A1 (0.52) S100BAPAF1ALDH1A1CYP3A4TDP1
SCHEMBL31361979 0.80 ALDH1A1 (0.52) S100BAPAF1ALDH1A1CYP3A4TDP1
SCHEMBL23885550 0.79 ALDH1A1 (0.46) S100BAPAF1ALDH1A1CYP3A4TDP1

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

Appears in 3999 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11555017-B2 Oxidation base derived from 1-hexyl-4,5-diaminopyrazole, composition containing same and use thereof in oxidation dyeing of keratin fibres L'OREAL (FR) 2023-01-17 US claimed
US-20200392088-A1 NOVEL OXIDATION BASE DERIVED FROM 1-HEXYL-4,5- DIAMINOPYRAZOLE, COMPOSITION CONTAINING SAME AND USE THEREOF IN OXIDATION DYEING OF KERATIN FIBRES L'OREAL (FR) 2020-12-17 US claimed
EP-3638200-A1 PROCESS FOR DYEING KERATIN MATERIALS USING AT LEAST ONE BLUE, PURPLE OR GREEN DYE AND AT LEAST ONE DISULFIDE, THIOL OR PROTECTED THIOL FLUORESCENT DYE L'Oreal (FR) 2020-04-22 EP claimed
EP-3464247-B1 NOVEL OXIDATION BASE DERIVED FROM 1-HEXYL-4,5- DIAMINOPYRAZOLE, COMPOSITION CONTAINING SAME AND USE THEREOF IN OXIDATION DYEING OF KERATIN FIBRES OREAL (FR) 2020-03-11 EP claimed
EP-3464247-A1 NOVEL OXIDATION BASE DERIVED FROM 1-HEXYL-4,5- DIAMINOPYRAZOLE, COMPOSITION CONTAINING SAME AND USE THEREOF IN OXIDATION DYEING OF KERATIN FIBRES L'Oréal (FR) 2019-04-10 EP claimed
CN-107567483-A The purposes of eutectic 斯特拉斯克莱德大学 2018-01-09 CN claimed
US-20180000704-A1 USES OF CO-CRYSTALS UNIV STRATHCLYDE (GB) 2018-01-04 US claimed
EP-3250643-A1 USES OF CO-CRYSTALS University of Strathclyde (GB) 2017-12-06 EP claimed
WO-2017202884-A1 NOVEL OXIDATION BASE DERIVED FROM 1-HEXYL-4,5- DIAMINOPYRAZOLE, COMPOSITION CONTAINING SAME AND USE THEREOF IN OXIDATION DYEING OF KERATIN FIBRES L'OREAL (FR) 2017-11-30 WO claimed
EP-3096735-A1 GRADUAL HAIRCOLOR COMPOSITIONS AND METHODS OF USING THE SAME Combe International Ltd. (US) 2016-11-30 EP claimed
US-5443596-A Keratinous fiber dyeing compositions and processes utilizing oxidation dye precursors in combination with dimethoxy meta-aminophenol couplers L'OREAL (FR) 1995-08-22 US claimed
EP-0580713-B1 METHOD FOR DYEING KERATIN FIBRES WITH AMINOINDOLES HAVING ALKALINE pH, AND COMPOSITIONS THEREFOR OREAL (FR) 1995-03-01 EP claimed
EP-0591373-A1 META-AMINOPHENOLS, THEIR USE AS COUPLERS FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYE COMPOSITIONS AND METHOD. OREAL (FR) 1994-04-13 EP claimed
EP-0580713-A1 METHOD FOR DYEING KERATIN FIBRES WITH AMINOINDOLES HAVING ALKALINE pH, AND COMPOSITIONS THEREFOR. OREAL (FR) 1994-02-02 EP claimed
EP-0578735-A1 NOVEL KERATIN FIBRE DYEING METHOD USING AMINOINDOLES, WITH ACID pH, COMPOSITIONS THEREFOR AND NOVEL AMINOINDOLE COMPOUNDS. OREAL (FR) 1994-01-19 EP claimed
US-5203875-A Hair dyes also using ortho- and para-phenylenediamines or aminophenols; colorfastness; washfastness; perspiration resistance L'OREAL (FR) 1993-04-20 US claimed
WO-1993000066-A1 META-AMINOPHENOLS, THEIR USE AS COUPLERS FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYE COMPOSITIONS AND METHOD L'OREAL (FR) 1993-01-07 WO claimed
WO-1992018093-A1 METHOD FOR DYEING KERATIN FIBRES WITH AMINOINDOLES HAVING ALKALINE pH, AND COMPOSITIONS THEREFOR L'OREAL (FR) 1992-10-29 WO claimed
WO-1992017157-A1 NOVEL KERATIN FIBRE DYEING METHOD USING AMINOINDOLES, WITH ACID pH, COMPOSITIONS THEREFOR AND NOVEL AMINOINDOLE COMPOUNDS L'OREAL (FR) 1992-10-15 WO claimed
EP-0506549-A1 Dyeing composition for keratinous fibers containing oxidation dye precursors and hydroxybenzofurans as couplers and dyeing process making use of such a composition L'OREAL (FR) 1992-09-30 EP claimed