SCHEMBL33587

SCHEMBL33587

Nc1ccc(N(CCO)CCO)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 1/20 0.53
ATM Q13315 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GAA P10253 2/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
MCL1 Q07820 1/20 0.46
CYP3A4 P08684 4/20 0.42
TSHR P16473 4/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 2/20 0.41
ESR2 Q92731 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL11867613 0.90 S100B (0.49) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL9763236 0.85 CYP3A4 (0.45) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL16815119 0.82 KMT2A (0.42) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL6574296 0.79 MAPT (0.52) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL6571525 0.78 KMT2A (0.50) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL5696542 0.78 PGK1 (0.43) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL6573376 0.78 KMT2A (0.44) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL6572570 0.78 KMT2A (0.47) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL10533867 0.78 MAPT (0.56) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL30491146 0.78 S100B (0.65) MAPTKMT2AMEN1LMNASMN1; SMN2

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 2092 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-3096735-A1 GRADUAL HAIRCOLOR COMPOSITIONS AND METHODS OF USING THE SAME Combe International Ltd. (US) 2016-11-30 EP claimed
WO-2015112789-A1 GRADUAL HAIRCOLOR COMPOSITIONS AND METHODS OF USING THE SAME COMBE INTERNATIONAL LTD. (US) 2015-07-30 WO 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
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-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-0424261-A1 Dyeing composition containing oxidation dyes precursors and aminoindole derivatives as coupling agent L'OREAL (FR) 1991-04-24 EP claimed
EP-0416962-A1 Keratinous fibers dyeing process with indole dyes and oxidation dye precursors and dyeing agents L'OREAL (FR) 1991-03-13 EP claimed
US-4891045-A DYEING HAIR L'OREAL (FR) 1990-01-02 US claimed
US-4865619-A Use, as a coupler, of 2,4-diamino-1,3-dimethoxybenzene or one of its salts, in combination with oxidation dye precursors, for dyeing human hair, hair dyeing composition containing the said coupler and process for preparing the said coupler L'OREAL (FR) 1989-09-12 US claimed
US-4865617-A Dyeing compositions for keratinous fibres, especially for human hair, containing oxidation dye precursors and heterocyclic couplers L'OREAL (FR) 1989-09-12 US claimed
US-4865618-A New chloro-meta-phenylenediamines, their use as couplers in the oxidation dyeing of keratinous fibres, dyeing compositions for hair containing these compounds and dyeing process using the said L'OREAL (FR) 1989-09-12 US claimed
EP-0295474-A1 Chlorometaphenylenediamines, their use as coupling agents in oxydation colouring of keratinic fibres, colourity compositions for hair containing these compounds and colouring process using these compositions L'OREAL (FR) 1988-12-21 EP claimed
EP-0294669-A1 Metaphenylendiamines, process for their preparation, intermediate compounds and use of these metaphenylendiamines as couplers in oxydative colouring of keratinic fibres especially of human hair L'OREAL (FR) 1988-12-14 EP claimed
US-4692166-A OXIDATION COLOR DYES USED WITH DIAMINOBENZENES OR AMINO PHENOLS; MINIMIZATION OF RED HUE L'OREAL (FR) 1987-09-08 US claimed
US-3961879-A P-PHENYLENEDIAMINE, HAIR L'OREAL (FR) 1976-06-08 US claimed