SCHEMBL33796

SCHEMBL33796

Nc1ccc(N(CCO)CCN(CCO)c2ccc(N)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
TDP1 Q9NUW8 8/20 0.52
CYP3A4 P08684 7/20 0.52
MAPK1 P28482 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
TSHR P16473 3/20 0.52
GFER P55789 2/20 0.52
PSMD14 O00487 2/20 0.52
RECQL P46063 1/20 0.52
TP53 P04637 3/20 0.41
ALOX15 P16050 3/20 0.41
MAPT P10636 7/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.37

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
Hydrochloric Acid SCHEMBL9637634 0.98 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4MAPK1L3MBTL1
SCHEMBL8521178 0.98 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4MAPK1L3MBTL1
SCHEMBL33874 0.98 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4MAPK1L3MBTL1
Water SCHEMBL3359653 0.95 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL7714474 0.95 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL8756114 0.95 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4MAPK1L3MBTL1
SCHEMBL14940571 0.91 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4MAPK1L3MBTL1
SCHEMBL34106 0.91 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4MAPK1L3MBTL1
SCHEMBL23839781 0.90 ALDH1A1 (0.47) ALDH1A1TDP1CYP3A4MAPK1L3MBTL1
4-Aminophenol SCHEMBL18187981 0.90 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4MAPK1L3MBTL1

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 3102 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-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-0850636-B2 Composition for the oxidative dyeing of keratinic fibres and dyeing process using this composition OREAL (FR) 2013-11-20 EP claimed
EP-1473025-B1 Dyeing composition containing 2-chloro-6-methyl-3-aminophenol and an associative polymer OREAL (FR) 2012-03-28 EP claimed
US-8043385-B2 Composition oxidation colouring of keratinic fibres, containing a cationic cellulose ether, a metasilicate and oxidation dyes, method for oxidation colouring and uses thereof L'OREAL S.A. (FR) 2011-10-25 US claimed
US-8002847-B2 Composition for oxidation dyeing keratin fibres comprising a cationic cellulose ether, a weakly oxyethylenated sorbitan fatty acid ester and oxidation dyes L 'OREAL S.A. (FR) 2011-08-23 US claimed
EP-0850637-B2 Composition for the oxidative dyeing of keratinic fibres and dyeing process using this composition OREAL (FR) 2010-11-10 EP claimed
US-20100275388-A1 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES L'OREAL S.A. (FR) 2010-11-04 US claimed
US-20100263138-A1 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF L'OREAL S.A. (FR) 2010-10-21 US claimed
EP-0360644-B1 OXIDATION DYEING COMPOSITION CONTAINING AT LEAST ONE DOUBLE AND AT LEAST ONE SINGLE DYEING BASE, AND DYEING PROCESS MAKING USE OF SUCH A COMPOSITION L'OREAL (FR) 1993-02-17 EP claimed
US-5180399-A Kits for dyeing hair L'OREAL (FR) 1993-01-19 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
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
EP-0502784-A1 Keratinous fibres dyeing process with isatin or derivatives thereof associated with a tri-, tetra- or pentasubstituted aniline or a bisphenylalkylenediamine and dyeing agents L'OREAL (FR) 1992-09-09 EP claimed
EP-0360644-A1 Oxidation dyeing composition containing at least one double and at least one single dyeing base, and dyeing process making use of such a composition L'OREAL (FR) 1990-03-28 EP claimed
US-4137080-A POLYFUNCTIONAL COUPLER AND DEVELOPER KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1979-01-30 US claimed