SCHEMBL127282

SCHEMBL127282

CC=CNc1ccc(N)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
TSHR P16473 3/20 0.53
CYP3A4 P08684 2/20 0.53
RECQL P46063 1/20 0.53
ALOX15 P16050 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
MAPK1 P28482 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 7/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
HCAR3 P49019 1/20 0.39
KAT2B Q92831 2/20 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
SCHEMBL3322385 0.80 ALDH1A1 (0.59) ALDH1A1TSHRCYP3A4RECQLALOX15
SCHEMBL30459805 0.80 ALDH1A1 (0.59) ALDH1A1TSHRCYP3A4RECQLALOX15
Hydrochloric Acid SCHEMBL27467893 0.78 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4RECQLALOX15
SCHEMBL11315194 0.75 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4RECQLALOX15
SCHEMBL2336839 0.75 HCAR3 (0.61) ALDH1A1TSHRCYP3A4RECQLALOX15
SCHEMBL5163517 0.74 MAPT (0.64) ALDH1A1TSHRCYP3A4RECQLALOX15
SCHEMBL11877033 0.74 CYP3A4 (0.53) ALDH1A1TSHRCYP3A4RECQLALOX15
SCHEMBL9728612 0.73 MAPT (0.79) ALDH1A1TSHRCYP3A4RECQLALOX15
SCHEMBL15018615 0.73 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4RECQLALOX15
SCHEMBL211067 0.73 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4RECQLALOX15

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

Claimed or disclosed in 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2140853-B1 Coated particle for use in cosmetics HENKEL AG & CO KGAA (DE) 2018-07-18 EP claimed
EP-1776085-B1 AGENT CONTAINING AN ALKALISATION AGENT FOR LIGHTENING AND/OR COLOURING KERATIN FIBRES HENKEL AG & CO KGAA (DE) 2010-04-28 EP claimed
EP-2140853-A2 Coated particle for use in cosmetics Henkel AG & Co. KGaA (DE) 2010-01-06 EP claimed
EP-1752191-B1 Agent for bleaching and/or colouring keratinic fibres with a coated alkaline agent HENKEL AG & CO KGAA (DE) 2008-09-10 EP claimed
EP-1787631-A1 New dye precursor combinations HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-05-23 EP claimed
WO-2007048473-A1 HAIR COLOURING AND/OR LIGHTENING METHOD WITH IMPROVED EFFICIENCY ACHIEVED BY UV LIGHT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-05-03 WO claimed
EP-1776085-A1 AGENT CONTAINING AN ALKALISATION AGENT FOR LIGHTENING AND/OR COLOURING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-04-25 EP claimed
EP-1771145-A1 AGENTS FOR THE SIMULTANEOUS DYEING AND BLEACHING OF KERATIN-CONTAINING FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2007-04-11 EP claimed
EP-1752191-A1 Agent for bleaching and/or colouring keratinic fibres with a coated alkaline agent Henkel Kommanditgesellschaft auf Aktien (DE) 2007-02-14 EP claimed
WO-2006045454-A1 AGENT COMPRISING SILYL-CARBONATE OR -CARBAMATE FOR THE SIMULTANEOUS COLOURING AND BLEACHING OF FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-05-04 WO claimed
WO-2006018099-A1 AGENT CONTAINING AN ALKALISATION AGENT FOR LIGHTENING AND/OR COLOURING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-02-23 WO claimed
WO-2005123019-A1 AGENTS FOR THE SIMULTANEOUS DYEING AND BLEACHING OF KERATIN-CONTAINING FIBERS HENKEL KOMMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-12-29 WO claimed
EP-2140853-B1 Coated particle for use in cosmetics HENKEL AG & CO KGAA (DE) 2018-07-18 EP disclosed
WO-2015096834-A1 AGENT AND METHOD FOR THE TEMPORARY SHAPING OF KERATIN FIBERS HENKEL AG & CO. KGAA (DE) 2015-07-02 WO disclosed
CN-102448549-B Hair conditioning composition comprising a cationic surfactant system and a direct dye PROCTER & GAMBLE 2014-11-12 CN disclosed
CN-103002952-A Hair conditioning composition comprising a cationic surfactant system, a direct dye and a nonionic thickener PROCTER & GAMBLE 2013-03-27 CN disclosed
WO-2006024334-A1 AGENTS FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-03-09 WO disclosed
WO-2006018099-A1 AGENT CONTAINING AN ALKALISATION AGENT FOR LIGHTENING AND/OR COLOURING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-02-23 WO disclosed
WO-2005123021-A1 BLEACHING AGENTS COMPRISING CARBONIC ACID DERIVATIVES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-12-29 WO disclosed
WO-2005123019-A1 AGENTS FOR THE SIMULTANEOUS DYEING AND BLEACHING OF KERATIN-CONTAINING FIBERS HENKEL KOMMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-12-29 WO disclosed