SCHEMBL112411

SCHEMBL112411

O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCO

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.67
MAPT P10636 14/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
RAB9A P51151 2/20 0.64
POLB P06746 2/20 0.64
NPC1 O15118 1/20 0.64
LMNA P02545 7/20 0.62
KMT2A Q03164 6/20 0.62
HTT P42858 5/20 0.62
ALDH1A1 P00352 2/20 0.61
TSHR P16473 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
MEN1 O00255 5/20 0.61
THRB P10828 1/20 0.61
PKM P14618 3/20 0.60
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59

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
SCHEMBL29392652 1.00 GAA (0.67) GAAMAPTSMN1; SMN2RAB9APOLB
SCHEMBL11199799 0.92 MAPT (0.68) GAAMAPTSMN1; SMN2RAB9APOLB
SCHEMBL8664267 0.89 GAA (0.56) GAAMAPTSMN1; SMN2RAB9APOLB
SCHEMBL27653716 0.89 GAA (0.53) GAAMAPTSMN1; SMN2RAB9APOLB
SCHEMBL11197746 0.86 GAA (0.67) GAAMAPTSMN1; SMN2RAB9APOLB
SCHEMBL5704002 0.86 GAA (0.67) GAAMAPTSMN1; SMN2RAB9APOLB
SCHEMBL116088 0.86 GAA (0.70) GAAMAPTSMN1; SMN2RAB9APOLB
SCHEMBL8612145 0.85 MAPT (0.63) GAAMAPTSMN1; SMN2RAB9APOLB
SCHEMBL5052133 0.85 GAA (0.62) GAAMAPTSMN1; SMN2RAB9APOLB
Hydrochloric Acid SCHEMBL8114256 0.84 GAA (0.65) GAAMAPTSMN1; SMN2RAB9APOLB

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 1493 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2263642-A2 Colouring bleaches Henkel AG & Co. KGaA (DE) 2010-12-22 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
EP-1757326-B1 Direct dying composition comprising insoluble oxygenated compounds and processes OREAL (FR) 2009-01-07 EP claimed
EP-1919439-A2 PROCESS FOR BLEACHING KERATIN FIBERS The Procter and Gamble Company (US) 2008-05-14 EP claimed
US-20070231283-A1 Process for bleaching keratin fibers PROCTER & GAMBLE COMPANY, THE 2007-10-04 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
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-5037446-A 2-nitroaniline derivatives and hair dyeing compositions containing same WELLA AKTIENGESELLSCHAFT (DE) 1991-08-06 US claimed
EP-0182330-B1 USE OF 2-NITROANILINE DERIVATIVES AS HAIR DYEING AGENTS, AND 2-NITROANILINE DERIVATIVES Wella Aktiengesellschaft (DE) 1991-05-15 EP claimed
EP-0182330-A2 Use of 2-nitroaniline derivatives as hair dyeing agents, and 2-nitroaniline derivatives Wella Aktiengesellschaft (DE) 1986-05-28 EP claimed