SCHEMBL23789

SCHEMBL23789

O=[N+]([O-])c1cc(NCCO)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
GPR35 Q9HC97 5/20 0.53
MAPT P10636 5/20 0.53
TDP1 Q9NUW8 4/20 0.53
KMT2A Q03164 3/20 0.53
MAPK1 P28482 3/20 0.53
MEN1 O00255 2/20 0.53
HPGD P15428 2/20 0.53
KDM4E B2RXH2 1/20 0.53
TTR P02766 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
ALOX15 P16050 1/20 0.53
ALOX12 P18054 1/20 0.53
RECQL P46063 1/20 0.53
PMP22 Q01453 1/20 0.53
HIF1A Q16665 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PKM P14618 1/20 0.49
TSHR P16473 3/20 0.48

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
SCHEMBL10601066 0.91 ALDH1A1 (0.51) ALDH1A1GPR35MAPTTDP1KMT2A
SCHEMBL23456361 0.89 PKM (0.53) ALDH1A1GPR35MAPTTDP1KMT2A
SCHEMBL4553218 0.88 ALDH1A1 (0.54) ALDH1A1GPR35MAPTTDP1KMT2A
SCHEMBL4807504 0.83 GPR35 (0.53) ALDH1A1GPR35MAPTTDP1KMT2A
SCHEMBL14944070 0.83 MAPT (0.49) ALDH1A1GPR35MAPTTDP1KMT2A
SCHEMBL453875 0.83 GPR35 (0.56) ALDH1A1GPR35MAPTTDP1KMT2A
SCHEMBL23523691 0.81 KMT2A (0.41) ALDH1A1GPR35MAPTTDP1KMT2A
SCHEMBL9463559 0.80 MAPT (0.52) ALDH1A1GPR35MAPTTDP1KMT2A
SCHEMBL10600910 0.80 GLA (0.48) ALDH1A1GPR35MAPTTDP1KMT2A
SCHEMBL563763 0.79 PKM (0.67) ALDH1A1MAPTTDP1KMT2AMAPK1

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

Appears in 2746 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3723864-B1 THICKENED ONE-COMPONENT HAIR TONER HENKEL AG & CO KGAA (DE) 2026-01-14 EP claimed
EP-3873407-B1 TWO-COMPONENT SYSTEM FOR ARTIFICIAL HAIR DYEING HENKEL AG & CO KGAA (DE) 2025-04-09 EP claimed
WO-2025061335-A1 METHOD FOR DYEING KERATIN FIBRES, COMPRISING THE APPLICATION OF AN OXIDATIVE PRE-TREATMENT AGENT AND A DYE COMPRISING DIRECT DYES HENKEL AG & CO. KGAA (DE) 2025-03-27 WO claimed
EP-4329710-A1 COSMETIC PRODUCT FOR DYEING KERATIN FIBERS Kao Corporation (JP) 2024-03-06 EP claimed
WO-2022229171-A1 COSMETIC PRODUCT FOR DYEING KERATIN FIBERS KAO CORPORATION (JP) 2022-11-03 WO claimed
EP-4076353-A1 TINTING CONDITIONER HAVING IMPROVED DYEING PERFORMANCE Henkel AG & Co. KGaA (DE) 2022-10-26 EP claimed
WO-2021121823-A1 TINTING CONDITIONER HAVING IMPROVED DYEING PERFORMANCE HENKEL AG & CO. KGAA (DE) 2021-06-24 WO claimed
EP-3723864-A1 THICKENED ONE-COMPONENT HAIR TONER Henkel AG & Co. KGaA (DE) 2020-10-21 EP claimed
WO-2019115058-A1 THICKENED ONE-COMPONENT HAIR TONER HENKEL AG & CO. KGAA (DE) 2019-06-20 WO claimed
US-10322075-B2 Colouring agent for keratin fibres, comprising a selected dye and a polyol HENKEL AG & CO. KGAA (DE) 2019-06-18 US claimed
WO-1989001473-A2 PROCESS FOR MANUFACTURING 2,5-DIAMINO-6-NITRO-PYRIDINE DERIVATIVES, THEIR USE IN HAIR DYES, AND NEW 2,5-DIAMINO-6-NITRO-PYRIDINE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1989-02-23 WO 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
WO-1988004166-A1 HAIR DYEING OXIDISING AGENT AND PROCESS WITH 3-(2',2',2'-TRIFLUOROETHYL)AMINO-PHENOL DERIVATES AND NEW 3-(2',2',2'-TRIFLUOROETHYL)AMINO-PHENOL DERIVATES WELLA AKTIENGESELLSCHAFT (DE) 1988-06-16 WO claimed
EP-0226973-A2 4-Bis(2'-hydroxyethyl)amino-1-(3'-hydroxypropyl)amino-2-nitro-benzene, process for its preparation and means for dyeing hair Wella Aktiengesellschaft (DE) 1987-07-01 EP claimed
EP-0184061-A1 4-(N-ethyl,N-2'-hydroxyethyl)-amino-1-(2\"-hydroxyethyl)-amino-2-nitrobenzene and hair dyeing agents Wella Aktiengesellschaft (DE) 1986-06-11 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
EP-0151400-A2 Hair dyeing compositions with picramic acid derivatives, new picramic acid derivatives and process for preparing same Wella Aktiengesellschaft (DE) 1985-08-14 EP claimed
WO-1985003222-A1 HAIR COLORANT WITH PICRAMIC ACID DERIVATIVES, NEW PICRAMIC ACID DERIVATIVES AND PRODUCTION PROCESS THEREOF WELLA AKTIENGESELLSCHAFT (DE) 1985-08-01 WO claimed