SCHEMBL127370

SCHEMBL127370

O=[N+]([O-])c1cc(NCCO)ccc1NCCO

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
TSHR P16473 2/20 0.68
TDP1 Q9NUW8 2/20 0.68
PKM P14618 1/20 0.56
MAPT P10636 6/20 0.55
RAB9A P51151 2/20 0.52
KMT2A Q03164 2/20 0.51
PRSS1 P07477 4/20 0.50
HCAR3 P49019 3/20 0.50
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.48
GALR3 O60755 1/20 0.48
KAT2B Q92831 1/20 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
SCHEMBL29392416 1.00 ALDH1A1 (0.68) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL7031913 0.94 ALDH1A1 (0.61) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL8645124 0.94 ALDH1A1 (0.61) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL7095920 0.93 ALDH1A1 (0.60) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL9748805 0.91 ALDH1A1 (0.58) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL9776282 0.91 HCAR3 (0.58) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL8645160 0.91 ALDH1A1 (0.57) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL7239404 0.89 ALDH1A1 (0.56) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL9776301 0.89 HTT (0.61) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL5713544 0.89 ALDH1A1 (0.56) ALDH1A1TSHRTDP1PKMMAPT

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 2521 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
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
WO-2025047878-A1 HAIR DYE COMPOSITION COMPRISING BLUE DYES, UREA AND A CATIONIC SURFACTANT HENKEL AG & CO. KGAA (DE) 2025-03-06 WO claimed
WO-2025047874-A1 HAIR DYE COMPOSITION COMPRISING BLUE DYES, BASIC RED OR YELLOW DYES AND A CATIONIC SURFACTANT HENKEL AG & CO. KGAA (DE) 2025-03-06 WO claimed
EP-4154864-A1 REPIGMENTING COMPOSITION FOR KERATIN FIBRES, ESPECIALLY HUMAN HAIR Dr. Kurt Wolff GmbH & Co. KG (DE) 2023-03-29 EP claimed
WO-2021121823-A1 TINTING CONDITIONER HAVING IMPROVED DYEING PERFORMANCE HENKEL AG & CO. KGAA (DE) 2021-06-24 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
EP-2794022-B1 COLORING AGENT COMPRISING CATIONIC DIRECT DYES AND LECITHINS HENKEL AG & CO KGAA (DE) 2019-01-02 EP claimed
EP-2793819-B1 COLOURING COMPOSITION WITH DIRECT DYES AND ZWITTERIONIC SURFACTANTS HENKEL AG & CO KGAA (DE) 2019-01-02 EP claimed
EP-2794017-B1 SUBSTANCE FOR DYEING KERATIN FIBERS, CONTAINING CATIONIC ANTHRAQUINONE DYES AND FATTY ACID TRIGLYCERIDES HENKEL AG & CO KGAA (DE) 2018-09-19 EP claimed
US-4975093-A Hair dyeing compositions containing 2,6-dinitro-phenol-derivatives WELLA AKTIENGESELLSCHAFT (DE) 1990-12-04 US claimed
US-4950302-A Process for the production of 2,5-diamino-6-nitro-pyridine derivatives, their use in hair dye compositions and new 2,5-diamino-6-nitropyridine derivatives WELLA AKTIENGESELLSCHAFT (DE) 1990-08-21 US claimed
WO-1990007557-A1 2-AMINO-6-CHLOR-4-NITROPHENOL DERIVATIVES, PROCESS FOR OBTAINING THEM AND HAIR DYE CONTAINING THESE COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 1990-07-12 WO claimed
EP-0376047-A1 2-Amino-6-chloro-4-nitrophenol derivatives, process for their preparation and hair dyeing agent containing the same Wella Aktiengesellschaft (DE) 1990-07-04 EP claimed
EP-0352489-A2 Use of 2,6-dinitrophenol derivatives in hair dyeing compositions Wella Aktiengesellschaft (DE) 1990-01-31 EP 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
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
EP-0203446-A1 Nitro-p-phenylene diamine derivatives, process for their preparation and hair dye compositions containing these compounds Wella Aktiengesellschaft (DE) 1986-12-03 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