SCHEMBL33847

SCHEMBL33847

Nc1ccc(N)c(-c2cccs2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.53
NPC1 O15118 5/20 0.45
KDM4E B2RXH2 5/20 0.45
MAPT P10636 4/20 0.45
HSD17B10 Q99714 4/20 0.45
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 3/20 0.45
TP53 P04637 2/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 2/20 0.45
GLA P06280 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GFER P55789 1/20 0.45
ATM Q13315 1/20 0.45
TDO2 P48775 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 3/20 0.41
ADORA1 P30542 2/20 0.41
PIM1 P11309 1/20 0.41

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 SCHEMBL6261430 0.98 KCNH2 (0.52) KCNH2NPC1KDM4EMAPTHSD17B10
SCHEMBL7191737 0.89 KCNH2 (0.47) KCNH2NPC1KDM4EMAPTHSD17B10
SCHEMBL5175466 0.86 KCNH2 (0.45) KCNH2NPC1KDM4EMAPTHSD17B10
SCHEMBL6870781 0.84 KCNH2 (0.48) KCNH2NPC1KDM4EMAPTHSD17B10
SCHEMBL16600073 0.83 KCNH2 (0.55) KCNH2NPC1KDM4EMAPTHSD17B10
Hydrochloric Acid SCHEMBL6864676 0.82 KCNH2 (0.47) KCNH2NPC1KDM4EMAPTHSD17B10
SCHEMBL8234801 0.82 KCNH2 (0.72) KCNH2HDAC1HDAC2HDAC3
SCHEMBL3530209 0.81 NPC1 (0.46) KCNH2NPC1KDM4EMAPTHSD17B10
SCHEMBL6137070 0.81 KDM4E (0.46) KCNH2NPC1KDM4EMAPTHSD17B10
SCHEMBL21052177 0.81 KCNH2 (0.50) KCNH2NPC1KDM4EMAPTHSD17B10

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 2652 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113912804-B Construction method and application of electrochemical luminescence system based on extrapolation receptor type covalent organic framework 南昌大学 2023-03-14 CN claimed
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-113912804-A Construction method and application of electrochemical luminescence system based on extrapolation receptor type covalent organic framework 南昌大学 2022-01-11 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
CN-101444460-B Oxidation dye composition, oxidation dyeing process and use OU LAIYA 2013-08-14 CN claimed
US-20030093867-A1 Dyes for keratin fibres containing 1,3-diamino-4-heteroarylbenzene derivatives and novel 1,3-diamino-4-heteroarylbenzene derivatives HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-05-22 US claimed
US-6503282-B1 Composition for coloring keratin fibers based on a developer-coupler combination characterized in that it contains as the coupler 3-(2,4-diaminophenoxy)-1-propanol and as the developer ring and having general formula (I) WELLA AKTIENGESELLSCHAFT (DE) 2003-01-07 US claimed
US-6409773-B1 AMINOPHENOL COUPLERS CLAIROL INCORPORATED 2002-06-25 US claimed
WO-2002047635-A1 NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING P&G-CLAIROL, INC. (US) 2002-06-20 WO claimed
EP-1166749-A2 Composition and process for dyeing keratinic fibres Wella Aktiengesellschaft (DE) 2002-01-02 EP claimed
EP-0943614-B1 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives WELLA AG (DE) 2001-12-12 EP claimed
EP-1158954-A1 MEANS AND METHOD FOR DYING KERATINIC FIBRES Wella Aktiengesellschaft (DE) 2001-12-05 EP claimed
WO-2001051019-A1 MEANS AND METHOD FOR DYING KERATINIC FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2001-07-19 WO claimed
US-6042620-A FOR DYEING KERATIN FIBERS SUCH AS HAIR WELLA AG (DE) 2000-03-28 US claimed
EP-0943614-A2 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives Wella Aktiengesellschaft (DE) 1999-09-22 EP claimed