SCHEMBL33801

SCHEMBL33801

CCCN(CCC)c1ccc(N)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.67
ALDH1A1 P00352 3/20 0.67
CYP3A4 P08684 3/20 0.67
L3MBTL1 Q9Y468 3/20 0.67
MAPK1 P28482 2/20 0.67
TSHR P16473 2/20 0.67
PSMD14 O00487 1/20 0.67
RECQL P46063 1/20 0.67
GFER P55789 1/20 0.67
TP53 P04637 2/20 0.48
ALOX15 P16050 1/20 0.48
MAPT P10636 4/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
MEN1 O00255 1/20 0.38

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
SCHEMBL6822008 0.94 ALDH1A1 (0.79) TDP1ALDH1A1CYP3A4L3MBTL1MAPK1
SCHEMBL7122869 0.94 CYP3A4 (0.59) TDP1ALDH1A1CYP3A4L3MBTL1MAPK1
SCHEMBL13949611 0.92 CYP3A4 (0.57) TDP1ALDH1A1CYP3A4L3MBTL1MAPK1
SCHEMBL7520164 0.91 ALDH1A1 (0.75) TDP1ALDH1A1CYP3A4L3MBTL1MAPK1
SCHEMBL19415813 0.90 TDP1 (0.55) TDP1ALDH1A1CYP3A4L3MBTL1MAPK1
SCHEMBL2759074 0.90 CYP3A4 (0.55) TDP1ALDH1A1CYP3A4L3MBTL1MAPK1
SCHEMBL20751751 0.90 CYP3A4 (0.55) TDP1ALDH1A1CYP3A4L3MBTL1MAPK1
SCHEMBL15340875 0.88 ALDH1A1 (0.53) TDP1ALDH1A1CYP3A4L3MBTL1MAPK1
SCHEMBL7150414 0.87 EGFR (0.47) TDP1ALDH1A1CYP3A4L3MBTL1MAPK1
SCHEMBL16391104 0.87 CYP3A4 (0.52) TDP1ALDH1A1CYP3A4L3MBTL1MAPK1

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 4879 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
CN-112608516-B Multifunctional light-stable composition and preparation method thereof 沈阳化工研究院有限公司 2022-04-08 CN claimed
CN-112608516-A Multifunctional light-stable composition and preparation method thereof 沈阳化工研究院有限公司 2021-04-06 CN 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
WO-2018229296-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) 2018-12-20 WO 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-5478359-A Applying a hair dyes L'OREAL (FR) 1995-12-26 US claimed
EP-0506549-B1 Dyeing composition for keratinous fibers containing oxidation dye precursors and hydroxybenzofurans as couplers and dyeing process making use of such a composition OREAL (FR) 1995-10-18 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-0605320-A1 Dye composition for keratinic fibres based on paraphenylenediamine, metaphenylenediamines and benzimidazol derivates, and the dyeing process using same L'OREAL (FR) 1994-07-06 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-0589952-A1 USE OF SUPLHUROUS METAAMINOPHENOLS FOR DYING KERATINIC FIBRES, TINCTORIAL COMPOSITIONS AND NOVEL COMPOUNDS. OREAL (FR) 1994-04-06 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-1992022525-A1 USE OF SUPLHUROUS METAAMINOPHENOLS FOR DYING KERATINIC FIBRES, TINCTORIAL COMPOSITIONS AND NOVEL COMPOUNDS L'OREAL (FR) 1992-12-23 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