SCHEMBL872575

SCHEMBL872575

CC(NC(N)=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.50
MEN1 O00255 6/20 0.50
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
HTT P42858 4/20 0.50
GAA P10253 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP14 P50281 1/20 0.50
RECQL P46063 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 1/20 0.46
MAPT P10636 6/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
MAPK1 P28482 2/20 0.44
HPGD P15428 2/20 0.44

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
Hydrochloric Acid SCHEMBL5967288 0.79 CA12 (0.51) KMT2AMEN1ALDH1A1SMN1; SMN2HTT
SCHEMBL10600425 0.78 TGM2 (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2HTT
SCHEMBL28358317 0.76 CA12 (0.59) KMT2AMEN1ALDH1A1SMN1; SMN2HTT
SCHEMBL3141855 0.76 KCNH3 (0.63) KMT2AMEN1ALDH1A1SMN1; SMN2HTT
SCHEMBL515915 0.76 CA12 (0.54) KMT2AMEN1ALDH1A1SMN1; SMN2HTT
SCHEMBL8373371 0.76 CA12 (0.54) KMT2AMEN1ALDH1A1SMN1; SMN2HTT
SCHEMBL515914 0.76 CA12 (0.54) KMT2AMEN1ALDH1A1SMN1; SMN2HTT
P-Nitrophenol SCHEMBL21580546 0.75 TSHR (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL10522465 0.75 CA12 (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2HTT
SCHEMBL1102071 0.74 KMT2A (0.71) KMT2AMEN1ALDH1A1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776085-B1 AGENT CONTAINING AN ALKALISATION AGENT FOR LIGHTENING AND/OR COLOURING KERATIN FIBRES HENKEL AG & CO KGAA (DE) 2010-04-28 EP claimed
EP-1752191-B1 Agent for bleaching and/or colouring keratinic fibres with a coated alkaline agent HENKEL AG & CO KGAA (DE) 2008-09-10 EP claimed
US-7419656-B2 Mixture containing phenylenediamine compound KAO CORPORATION (JP) 2008-09-02 US claimed
EP-0646108-B1 HYDROXYPROPYLATED 2-NITRO-P-PHENYLENEDIAMINES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR DYEING KERATIN FIBRES OREAL (FR) 1998-10-14 EP claimed
US-5792221-A DYEING GRAY TO WHITE HAIR BLUE THROUGH PURPLISH-BLUE SHADES; WATER SOLUBILITY; WASH- AND COLORFASTNESS; WEATHERPROOFING; SWEAT RESISTANCE L'OREAL (FR) 1998-08-11 US claimed
EP-0646109-B1 NOVEL HYDROXYETHYLATED 2-NITRO-P-PHENYLENEDIAMINES AND USE THEREOF FOR DYEING KERATIN FIBRES OREAL (FR) 1997-09-03 EP 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-0646108-A1 HYDROXYPROPYLATED 2-NITRO-P-PHENYLENEDIAMINES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR DYEING KERATIN FIBRES L'OREAL (FR) 1995-04-05 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
CN-120154547-A Composition for dyeing hair comprising an ultra-high-efficiency aqueous multilayer emulsion system and process for its preparation 酷姆国际公司 2025-06-17 CN disclosed
CN-120154548-A Composition for dyeing hair comprising an ultra-high-efficiency aqueous multilayer emulsion system and process for its preparation 酷姆国际公司 2025-06-17 CN disclosed
CN-117982355-A Oxidative hair treatment composition 威娜德国有限责任公司 2024-05-07 CN disclosed
CN-117426992-A Hair treatment method for increasing bond density of damaged hair 美容与商业股份有限公司 2024-01-23 CN disclosed
EP-0646109-B1 NOVEL HYDROXYETHYLATED 2-NITRO-P-PHENYLENEDIAMINES AND USE THEREOF FOR DYEING KERATIN FIBRES OREAL (FR) 1997-09-03 EP disclosed
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 disclosed
US-5516942-A DIRECT DYES FOR HAIR FOR YELLOW OR PURPLE L'OREAL (FR) 1996-05-14 US disclosed
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 disclosed
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 disclosed