SCHEMBL127252

SCHEMBL127252

Nc1ccc(N(CCO)CCO)cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.62
ALDH1A1 P00352 4/20 0.62
TSHR P16473 3/20 0.62
POLB P06746 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
LMNA P02545 1/20 0.47
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.44
ADRB2 P07550 1/20 0.42
VCAM1 P19320 1/20 0.40
NSD2 O96028 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
GPR35 Q9HC97 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 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
SCHEMBL29390088 1.00 TDP1 (0.62) TDP1ALDH1A1TSHRPOLBMEN1
Hydrochloric Acid SCHEMBL455911 0.98 TDP1 (0.60) TDP1ALDH1A1TSHRPOLBMEN1
Hydrochloric Acid SCHEMBL29349750 0.98 TDP1 (0.60) TDP1ALDH1A1TSHRPOLBMEN1
SCHEMBL6001711 0.88 ALDH1A1 (0.67) TDP1ALDH1A1TSHRPOLBMEN1
SCHEMBL22115093 0.84 TSHR (0.51) TDP1ALDH1A1TSHRPOLBMEN1
SCHEMBL6151379 0.83 ALDH1A1 (0.63) TDP1ALDH1A1TSHRPOLBMEN1
SCHEMBL8318666 0.83 ALDH1A1 (0.63) TDP1ALDH1A1TSHRPOLBMEN1
SCHEMBL6572969 0.82 ALDH1A1 (0.50) TDP1ALDH1A1TSHRPOLBMEN1
SCHEMBL14174537 0.81 ALDH1A1 (0.62) TDP1ALDH1A1TSHRPOLBMEN1
SCHEMBL27752508 0.81 ALDH1A1 (0.62) TDP1ALDH1A1TSHRPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3494396-B1 CHEMILUMINESCENT AND FLUORESCENT SUBSTRATE PADS AND USES THEREOF PIERCE BIOTECHNOLOGY INC (US) 2025-06-11 EP claimed
EP-1437123-B2 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'ORÉAL (FR) 2017-11-08 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
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-1432388-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2008-06-18 EP claimed
US-7300472-B2 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-11-27 US claimed
US-7241318-B2 Hair dye CREATE CO. (JP) 2007-07-10 US claimed
US-5030241-A Providing yellow and orange shades, with or without oxidation agent WELLA AKTIENGESELLSCHAFT (DE) 1991-07-09 US claimed
EP-0226973-B1 4-BIS(2'-HYDROXYETHYL)AMINO-1-(3'-HYDROXYPROPYL)AMINO-2-NITRO-BENZENE, PROCESS FOR ITS PREPARATION AND MEANS FOR DYEING HAIR Wella Aktiengesellschaft (DE) 1991-03-06 EP claimed
US-4975093-A Hair dyeing compositions containing 2,6-dinitro-phenol-derivatives WELLA AKTIENGESELLSCHAFT (DE) 1990-12-04 US claimed
US-4921504-A 4-(N-ethyl-N-2-hydroxyethyl)-amino-1-(2 hydroxyethyl)-amino-2-nitrobenzene and compositions for dyeing hair containing the same WELLA AKTIENGESELLSCHAFT (DE) 1990-05-01 US claimed
EP-0352489-A2 Use of 2,6-dinitrophenol derivatives in hair dyeing compositions Wella Aktiengesellschaft (DE) 1990-01-31 EP claimed
EP-0184061-B1 4-(N-ETHYL,N-2'-HYDROXYETHYL)-AMINO-1-(2\"-HYDROXYETHYL)-AMINO-2-NITROBENZENE AND HAIR DYEING AGENTS Wella Aktiengesellschaft (DE) 1988-12-14 EP claimed
WO-1988008696-A1 USE OF 2,6 DINITRO-ANILINE DERIVATIVES IN HAIR TINTING AGENTS AND NEW DERIVATIVES OF 2,6 DINITRO-ANILINE WELLA AKTIENGESELLSCHAFT (DE) 1988-11-17 WO claimed
EP-0289782-A1 Use of 2,6-dinitroanilin derivatives in hair dyeing compositions and new 2,6-dinitroanilin derivatives Wella Aktiengesellschaft (DE) 1988-11-09 EP claimed
US-4668237-A VIOLET OR BLUE AMINO NITROBENZENE DYE L'OREAL (FR) 1987-05-26 US claimed
EP-0087959-B1 ENHANCED LUMINESCENT AND LUMINOMETRIC ASSAY NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1985-09-25 EP claimed