SCHEMBL3390153

SCHEMBL3390153

Nc1cccc(N)c1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.52
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
USP2 O75604 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
TSHR P16473 3/20 0.45
GPR35 Q9HC97 2/20 0.45
LMNA P02545 1/20 0.44
PDE7A Q13946 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP3A4 P08684 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
S100A4 P26447 1/20 0.40

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
SCHEMBL11551067 1.00 TDP1 (0.52) TDP1ALDH1A1MEN1KMT2AUSP2
Hydrochloric Acid SCHEMBL5914596 0.97 TDP1 (0.50) TDP1ALDH1A1MEN1KMT2AUSP2
SCHEMBL17934 0.86 TSHR (0.59) TDP1ALDH1A1MEN1KMT2ATSHR
SCHEMBL30159490 0.84 ALDH1A1 (0.72) TDP1ALDH1A1KMT2ATSHRSMN1; SMN2
SCHEMBL1897305 0.84 GPR35 (0.62) TDP1ALDH1A1MEN1KMT2AUSP2
SCHEMBL240809 0.84 ALDH1A1 (0.43) TDP1ALDH1A1MEN1KMT2AUSP2
Hydrochloric Acid SCHEMBL8040214 0.84 TSHR (0.57) TDP1ALDH1A1MEN1KMT2AUSP2
SCHEMBL30152889 0.84 ALDH1A1 (0.43) TDP1ALDH1A1MEN1KMT2AUSP2
SCHEMBL1161841 0.84 ALDH1A1 (0.43) TDP1ALDH1A1MEN1KMT2AUSP2
SCHEMBL29795544 0.84 ALDH1A1 (0.43) TDP1ALDH1A1MEN1KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004056331-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AT LEAST ONE FREE-RADICAL COMPOUND OF NITROXYL TYPE AND AT LEAST ONE PRIMARY OR SECONDARY ALCOHOL L'OREAL (FR) 2004-07-08 WO claimed
US-5735910-A DIRECT HAIR DYES; WASHFASTNESS, COLORFASTNESS L'OREAL (FR) 1998-04-07 US claimed
EP-0279016-B2 Powdered hair dye HOYU KK (JP) 1995-04-05 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
EP-0303826-B1 SUBSTITUTED 2-NITRO METAPHENYLENE DIAMINES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN DYEING KERATINOUS FIBRES AND ESPECIALLY HUMAN HAIR L'OREAL (FR) 1991-02-27 EP claimed
US-4992586-A Dehalogenation of a halonitrobenzene compound L'OREAL (FR) 1991-02-12 US claimed
US-4863482-A FROM A TRIHALONITROBENZENE L'OREAL (FR) 1989-09-05 US claimed
US-4845293-A HAIR DYE L'OREAL (FR) 1989-07-04 US claimed
EP-0303826-A1 Substituted 2-nitro metaphenylene diamines, process for their preparation and their use in dyeing keratinous fibres and especially human hair L'OREAL (FR) 1989-02-22 EP claimed
US-4797129-A NITRO HAIR DYES L'OREAL (FR) 1989-01-10 US claimed
US-4169853-A HYDROGENATION, CATALYST SELECTIVITY TEXACO DEVELOPMENT CORPORATION (US) 1979-10-02 US claimed
EP-3238815-B1 COMPOSITE SEMIPERMEABLE MEMBRANE TORAY INDUSTRIES (JP) 2026-01-28 EP disclosed
EP-4132460-A1 METHOD FOR DYEING KERATIN MATERIAL, COMPRISING THE USE OF A ORGANOSILICON COMPOUND, A POLYSACCHARIDE, A COLORING COMPOUND AND A POST-TREATMENT AGENT Henkel AG & Co. KGaA (DE) 2023-02-15 EP disclosed
CN-111132655-B Oxidative hair dye composition 株式会社爱茉莉太平洋 2023-01-10 CN disclosed
US-4138244-A HERBICIDES UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1979-02-06 US disclosed
US-4125601-A Substituted nitroaminophenols, process for their preparation and dyeing compositions in which they are present L'OREAL (FR) 1978-11-14 US disclosed
US-4008999-A N,N-dialkylamino diphenylamines for dyeing keratinic fibers SOCIETE ANONYME DITE: L'OREAL (FR) 1977-02-22 US disclosed
US-3904690-A 2-Nitro-meta-phenylenediamines OREAL 1975-09-09 US disclosed