SCHEMBL109433

SCHEMBL109433

Nc1ccc(NCCO)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
TDP1 Q9NUW8 3/20 0.62
TSHR P16473 3/20 0.62
PKM P14618 1/20 0.55
MAPT P10636 4/20 0.54
PRSS1 P07477 4/20 0.52
ALOX15 P16050 2/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RAB9A P51151 2/20 0.51
KAT2B Q92831 2/20 0.50
CYP3A4 P08684 2/20 0.50
KMT2A Q03164 1/20 0.50
HCAR3 P49019 1/20 0.49
RECQL P46063 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL29390674 1.00 ALDH1A1 (0.62) ALDH1A1TDP1TSHRPKMMAPT
SCHEMBL9820097 0.91 PRSS1 (0.57) ALDH1A1TDP1TSHRPKMMAPT
SCHEMBL27758391 0.88 ALDH1A1 (0.51) ALDH1A1TDP1TSHRPKMMAPT
SCHEMBL10580375 0.88 MAPT (0.54) ALDH1A1TDP1TSHRPKMMAPT
SCHEMBL2469009 0.86 KAT2B (0.58) ALDH1A1TDP1TSHRMAPTPRSS1
SCHEMBL27688992 0.84 HCAR3 (0.63) ALDH1A1TDP1TSHRPKMMAPT
SCHEMBL8603744 0.83 PKM (0.50) ALDH1A1TDP1TSHRPKMMAPT
SCHEMBL13043461 0.83 KAT2B (0.49) ALDH1A1TDP1TSHRPKMMAPT
SCHEMBL127370 0.83 ALDH1A1 (0.68) ALDH1A1TDP1TSHRPKMMAPT
SCHEMBL563763 0.83 PKM (0.67) ALDH1A1TDP1TSHRPKMMAPT

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 1871 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1437123-B2 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'ORÉAL (FR) 2017-11-08 EP claimed
EP-3034067-A1 Hair colouring compositions Unilever PLC (GB) 2016-06-22 EP claimed
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 EP 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
EP-2158942-A2 Direct hair dye composition comprising insoluble oxygenated compounds and processes L'Oreal (FR) 2010-03-03 EP claimed
US-7651534-B2 Direct dye composition comprising at least one insoluble oxygenated compound, and processes using this composition L'OREAL SA (FR) 2010-01-26 US claimed
US-5628799-A DYE IS A NITROBENZENE SUBSTITUTED WITH AT LEAST ONE NUCLEOPHILIC AMINO GROUP; BUFFER PRESENT; DOPA SPECIES, DYE AND OXIDANT REACT TO FORM MELANIN PRECURSOR WHICH DIFFUSES INTO HAIR TO FORM MELANIN CLAIROL INCORPORATED (US) 1997-05-13 US claimed
EP-0673926-B1 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 OREAL (FR) 1997-04-09 EP claimed
US-5516942-A DIRECT DYES FOR HAIR FOR YELLOW OR PURPLE L'OREAL (FR) 1996-05-14 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
CN-1107328-A Process and kit for dyeing hair BRISTOL MYERS SQUIBB CO (US) 1995-08-30 CN claimed
EP-0658339-A1 Process and kit for dyeing hair Bristol-Myers Squibb Company (US) 1995-06-21 EP claimed
EP-0480829-B1 Hair dyeing composition containing anthraquinones OREAL (FR) 1994-04-06 EP 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-5011500-A Developing with source of iodide ions and hydrogen peroxide, nitrite source and oxidizing agents; multicompartment kit; oxidation system; color- and washfast L'OREAL (FR) 1991-04-30 US claimed