SCHEMBL455957

SCHEMBL455957

NN(CCO)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
POLB P06746 1/20 0.58
LMNA P02545 2/20 0.52
TSHR P16473 5/20 0.48
ALOX15 P16050 1/20 0.46
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
MAPK1 P28482 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
TP53 P04637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL23550 0.84 ALDH1A1 (0.60) ALDH1A1MEN1KMT2APOLBLMNA
Hydrochloric Acid SCHEMBL20267626 0.83 ALDH1A1 (0.59) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL282374 0.81 ALDH1A1 (0.58) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL1061236 0.80 ALDH1A1 (0.51) ALDH1A1MEN1KMT2APOLBTSHR
SCHEMBL4632479 0.79 ALDH1A1 (0.55) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL7467742 0.79 ALDH1A1 (0.55) ALDH1A1MEN1KMT2APOLBLMNA
Bromide SCHEMBL1056102 0.79 ALDH1A1 (0.50) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL2418609 0.78 ALDH1A1 (0.54) ALDH1A1MEN1KMT2APOLBLMNA
Hydrochloric Acid SCHEMBL28880747 0.77 TSHR (0.55) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL260596 0.76 KMT2A (0.47) ALDH1A1MEN1KMT2ALMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3773435-A1 TWO COMPONENT HAIR TREATMENT KIT COMPRISING A HAIR COLORING CREAM AND A DEVELOPER COMPOSITION COMPRISING A SPECIFIC TENSIOACTIVE COMPOUND Laboratoire Biosthetique Kosmetik GmbH&Co. KG (DE) 2021-02-17 EP disclosed
WO-2019185127-A1 TWO COMPONENT HAIR TREATMENT KIT COMPRISING A HAIR COLORING CREAM AND A DEVELOPER COMPOSITION COMPRISING A SPECIFIC TENSIOACTIVE COMPOUND HCT - HAIR COSMETIC TECHNOLOGY AG (CH) 2019-10-03 WO disclosed
EP-3079650-A1 COMPOSITIONS AND METHODS FOR SIMULTANEOUS RESHAPING AND DIRECT COLORING OF HAIR Alfa Parf Group S.p.A. (IT) 2016-10-19 EP disclosed
WO-2016016148-A1 PERMANENT HAIR COLORANTS BASED ON A CREAM-LIKE CARRIER AND A COMBINATION OF TRIS(HYDROXYMETHYL)AMINOMETHANE, AT LEAST AN AMINO ACID AND AN OXIDATIVE DYE HCT - HAIR COSMETIC TECHNOLOGY AG (CH) 2016-02-04 WO disclosed
WO-2015086734-A1 COMPOSITIONS AND METHODS FOR SIMULTANEOUS RESHAPING AND DIRECT COLORING OF HAIR ALFA PARF GROUP S.P.A. (IT) 2015-06-18 WO disclosed
WO-2014202152-A1 NEW COSMETIC COMPOSITIONS COMPRISING CATIONIC DYES AND PROCESS FOR DIRECT DYEING OF KERATIN FIBERS ALFA PARF GROUP S.P.A. (IT) 2014-12-24 WO disclosed
WO-2013131575-A1 FOAMABLE COLORING COMPOSITIONS COMPRISING A THERMO-SENSITIVE POLYMER ALFAPARF GROUP S.P.A. (IT) 2013-09-12 WO disclosed
EP-2613760-A2 COMPOSITIONS FOR DYEING KERATIN FIBERS Segetis, Inc. (US) 2013-07-17 EP disclosed
EP-2493576-A2 HAIR CONDITIONING COMPOSITION COMPRISING CATIONIC SURFACTANT SYSTEM, DIRECT DYE, AND NONIONIC THICKENER The Procter & Gamble Company (US) 2012-09-05 EP disclosed
WO-2012033813-A2 COMPOSITIONS FOR DYEING KERATIN FIBERS SEGETIS, INC. (US) 2012-03-15 WO disclosed
WO-2007026328-A2 AGENT FOR SIMULTANEOUS LIGHTENING AND COLORING OF KERATIN FIBRES CONTAINING A SULFAMATE BLEACH BOOSTER THE PROCTER & GAMBLE COMPANY (US) 2007-03-08 WO disclosed
WO-2006130373-A1 COLORANTS FOR KERATIN FIBERS THE PROCTER & GAMBLE COMPANY (US) 2006-12-07 WO disclosed
WO-2006099163-A1 COLOURANTS FOR KERATIN FIBRES COMPRISING CERTAIN CATIONIC CELLULOSE ETHER DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 2006-09-21 WO disclosed
WO-2006081245-A1 AGENTS FOR COLORING KERATIN FIBERS THE PROCTER & GAMBLE COMPANY (US) 2006-08-03 WO disclosed
WO-2006081244-A2 COLORANTS COMPRISING CATIONIC AZACYANINE DYES THE PROCTER & GAMBLE COMPANY (US) 2006-08-03 WO disclosed
WO-2006081246-A2 USE OF CATIONIC AZACYANINE DYES FOR COLORING KERATIN FIBERS THE PROCTER & GAMBLE COMPANY (US) 2006-08-03 WO disclosed
EP-1492493-A1 METHOD FOR THE GENERATION OF MEMORY EFFECTS ON HAIR Mnemoscience GmbH (DE) 2005-01-05 EP disclosed
WO-2003084490-A1 METHOD FOR THE GENERATION OF MEMORY EFFECTS ON HAIR MNEMOSCIENCE GMBH (DE) 2003-10-16 WO disclosed
EP-0470381-B1 Hair treatment composition and hair dye composition KAO CORP (JP) 1996-01-10 EP disclosed
US-5254333-A Contains acidic dye, 2-benzyloxyethanol and a water-soluble nonionic polymer; imparts good feeling to hair; safe to hair and skin KAO CORPORATION (JP) 1993-10-19 US disclosed