SCHEMBL33958

SCHEMBL33958

CC(O)CNc1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MAPT P10636 4/20 0.39
RAB9A P51151 1/20 0.39
ADRB2 P07550 6/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
APP P05067 1/20 0.37
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 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
Hydrochloric Acid SCHEMBL11207559 0.98 CA12 (0.39) CA12CA1CA2CA9MAPT
Hydrochloric Acid SCHEMBL11207303 0.98 CA12 (0.39) CA12CA1CA2CA9MAPT
SCHEMBL5155005 0.85 MAPT (0.43) CA12CA1CA2CA9MAPT
SCHEMBL2028408 0.83 MAPT (0.44) MAPTRAB9AADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL5426909 0.83 MAPT (0.41) MAPTRAB9AADRB2ADRB1ADRB3
SCHEMBL7030236 0.83 MAPT (0.41) CA12CA1CA2CA9MAPT
SCHEMBL14081111 0.83 IDO1 (0.43) CA12CA1CA2CA9MAPT
SCHEMBL1926209 0.83 CA12 (0.42) CA12CA1CA2CA9MAPT
SCHEMBL13057582 0.81 ALDH1A1 (0.46) CA12CA1CA2CA9MAPT
SCHEMBL22622594 0.81 MAPT (0.54) MAPTRAB9AALDH1A1KDM4ESMN1; 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 4177 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-2658507-B1 OXIDATIVE COLOURING COMPOSITION KAO GERMANY GMBH (DE) 2019-04-24 EP 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
US-20170073237-A1 METHOD FOR MANUFACTURING HOLLOW SILICA PARTICLES, HOLLOW SILICA PARTICLES, AND COMPOSITION AND THERMAL INSULATION SHEET COMPRISING SAME SUKGYUNG AT CO., LTD . (KR) 2017-03-16 US claimed
EP-3096735-A1 GRADUAL HAIRCOLOR COMPOSITIONS AND METHODS OF USING THE SAME Combe International Ltd. (US) 2016-11-30 EP claimed
CN-105916482-A Gradual hair color compositions and methods of use thereof 酷姆国际公司 2016-08-31 CN claimed
US-5567421-A COLORFAST, WASHFAST, WEATHERPROOF, AND PERSPIRATION RESISTANT HAIR DYE L'OREAL (FR) 1996-10-22 US claimed
EP-0733356-A1 Composition for dyeing keratinous fibres L'OREAL (FR) 1996-09-25 EP claimed
EP-0728465-A1 Composition for dyeing keratinous fibers comprising a meta-aminophenol and 6-hydroxyindoline, and dyeing process using such a composition L'OREAL (FR) 1996-08-28 EP claimed
US-5514188-A Oxidation dye composition for keratinous fibres comprising a para-aminophenol, 2-methyl-5-aminophenol and a para-phenylenediamine and/or a bis(phenylalkylenediamine) L'OREAL (FR) 1996-05-07 US claimed
EP-0634163-A1 Keratinous fibers dying composition containing a para-aminophenol, a meta-aminophenol and a paraphenyloliamine and/or a bis-phenylalkylendiamin L'OREAL (FR) 1995-01-18 EP claimed
EP-0634164-A1 Keratinous fiber oxidation dying composition containing a para-aminophenol, 2-methyl-5-aminophenil and a paraphenylenediamine and/or a bis-phenylalkylenediamine L'OREAL (FR) 1995-01-18 EP claimed
US-4828568-A N-(2,4-DIHYDROXYBENZYLIDENE)AMINO COMPOUNDS AS PRIMARY COUPLERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1989-05-09 US claimed
US-4575377-A Oxidation hair dyes comprising resorcinol derivatives as coupling components HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1986-03-11 US claimed
EP-0039806-B1 HAIR-DYEING COMPOSITIONS Henkel Kommanditgesellschaft auf Aktien (DE) 1983-11-16 EP claimed
EP-0039806-A2 Hair-dyeing compositions Henkel Kommanditgesellschaft auf Aktien (DE) 1981-11-18 EP claimed