SCHEMBL1009970

SCHEMBL1009970

COc1ccc(NCCO)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
TSHR P16473 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
MAPT P10636 4/20 0.55
RAB9A P51151 4/20 0.55
NPC1 O15118 3/20 0.55
MAPK1 P28482 2/20 0.55
AKR1C3 P42330 3/20 0.54
AKR1C2 P52895 3/20 0.54
LMNA P02545 2/20 0.53
HCAR3 P49019 1/20 0.52
PKM P14618 1/20 0.52
POLB P06746 1/20 0.52
AKR1B10 O60218 1/20 0.51
AKR1B1 P15121 1/20 0.51
AKR1C4 P17516 1/20 0.51
AKR1C1 Q04828 1/20 0.51

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
SCHEMBL6938256 0.93 MEN1 (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL10580319 0.89 MAPT (0.58) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL17934170 0.87 MAPT (0.57) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL4233854 0.87 HCAR3 (0.60) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL10804569 0.86 MEN1 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL21815032 0.86 MAPT (0.64) ALDH1A1TDP1MEN1KMT2ASMN1; SMN2
SCHEMBL2472513 0.86 KAT2B (0.60) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL10534495 0.85 HCAR3 (0.56) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL9035462 0.85 TDP1 (0.60) ALDH1A1TDP1MEN1KMT2ASMN1; SMN2
SCHEMBL2473470 0.84 TSHR (0.60) ALDH1A1TSHRTDP1KMT2ASMN1; 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

Claimed or disclosed in 555 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9993413-B2 Keratin fibre dyeing composition BEAUTY & BUSINESS S.P.A. (IT) 2018-06-12 US claimed
EP-1437123-B2 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'ORÉAL (FR) 2017-11-08 EP claimed
US-20170258695-A1 KERATIN FIBRE DYEING COMPOSITION BEAUTY & BUSINESS S.P.A. (IT) 2017-09-14 US claimed
EP-0999823-B2 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME OREAL (FR) 2011-10-05 EP claimed
US-7799092-B2 Composition for simultaneously bleaching and dyeing keratin fibers, comprising at least one anionic or nonionic direct dye and at least one associative polymer L'OREAL S.A. (FR) 2010-09-21 US claimed
US-7736395-B2 direct dyes L'OREAL S.A. (FR) 2010-06-15 US claimed
EP-1738800-B1 Agent for simultaneously bleaching and coloring of keratin fibres comprising an anionic or non-ionic dye and an asociative polymer OREAL (FR) 2010-06-09 EP claimed
EP-1738801-B1 Agent for simultaneously bleaching and coloring of keratin fibres comprising an anionic or non-ionic dye and an inert organic liquid OREAL (FR) 2010-06-09 EP claimed
WO-2008099332-A1 MULTISTEP HAIR COLOR REVITALIZING KIT AND ASSOCIATED METHODS THE PROCTER & GAMBLE COMPANY (US) 2008-08-21 WO claimed
US-20080189876-A1 Multistep hair color revitalizing kit and associated methods PROCTER & GAMBLE COMPANY, THE 2008-08-14 US claimed
EP-0673926-A1 2-Nitro-p-phenylenediamines having a sulfur atom in position 5, process for their preparation, dye compositions containing them and their use for dyeing keratinic fibres L'OREAL (FR) 1995-09-27 EP claimed
EP-0646108-A1 HYDROXYPROPYLATED 2-NITRO-P-PHENYLENEDIAMINES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR DYEING KERATIN FIBRES L'OREAL (FR) 1995-04-05 EP claimed
EP-0480829-B1 Hair dyeing composition containing anthraquinones OREAL (FR) 1994-04-06 EP claimed
WO-1994000414-A1 HYDROXYPROPYLATED 2-NITRO-P-PHENYLENEDIAMINES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR DYEING KERATIN FIBRES L'OREAL (FR) 1994-01-06 WO claimed
US-5226924-A 1,4-DI(MONO- OR POLY) HYDROXYALKYLAMINO-9,10-ANTHRAQUINONES FOR DYEING HUMAN KERATINOUS FIBRES, COSMETIC COMPOSITION CONTAINING THEM IN COMBINATION WITH AZO AND NITROBENZENE DYES, AND HAIR-DYEING PROCESS USING THEM L'OREAL (FR) 1993-07-13 US claimed
EP-0480829-A1 Hair dyeing composition containing anthraquinones L'OREAL (FR) 1992-04-15 EP claimed
US-4311478-A HAIR DYES L'OREAL (FR) 1982-01-19 US claimed
US-4305717-A P-PHENYLENEDIAMINE OXIDIZING BASE AND COUPLER TO FORM INDAMINES L'OREAL (FR) 1981-12-15 US claimed
US-4152112-A Dyeing composition for keratinic fibers containing paraphenylenediamines L'OREAL (FR) 1979-05-01 US claimed
US-4125367-A FOR KERATINIC FIBERS L'OREAL (FR) 1978-11-14 US claimed