SCHEMBL127397

SCHEMBL127397

Nc1ccc(Nc2ccccc2OC(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.57
ALDH1A1 P00352 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
AKR1C3 P42330 2/20 0.48
AKR1C2 P52895 2/20 0.48
HCAR3 P49019 1/20 0.46
RECQL P46063 1/20 0.45
DUSP3 P51452 1/20 0.45
PTPN5 P54829 1/20 0.45
PTPN11 Q06124 1/20 0.45
MAPK1 P28482 5/20 0.45
TDP1 Q9NUW8 3/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 3/20 0.41

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
SCHEMBL9622602 0.85 MAPT (0.53) MAPTALDH1A1SMN1; SMN2AKR1C3AKR1C2
SCHEMBL9622901 0.85 L3MBTL1 (0.49) MAPTALDH1A1SMN1; SMN2AKR1C3AKR1C2
SCHEMBL5181747 0.85 MAPK1 (0.57) MAPTALDH1A1SMN1; SMN2AKR1C3AKR1C2
SCHEMBL9623039 0.84 L3MBTL1 (0.48) MAPTALDH1A1SMN1; SMN2AKR1C3AKR1C2
SCHEMBL9622919 0.83 MAPT (0.46) MAPTALDH1A1SMN1; SMN2AKR1C3AKR1C2
SCHEMBL9622892 0.83 MAPT (0.56) MAPTALDH1A1SMN1; SMN2AKR1C3AKR1C2
SCHEMBL6135331 0.82 MAPT (0.50) MAPTALDH1A1SMN1; SMN2AKR1C3AKR1C2
SCHEMBL9623030 0.82 MAPT (0.52) MAPTALDH1A1SMN1; SMN2AKR1C3AKR1C2
SCHEMBL9622222 0.81 MEN1 (0.57) MAPTALDH1A1SMN1; SMN2AKR1C3AKR1C2
SCHEMBL23567 0.81 AKR1C3 (0.67) MAPTALDH1A1SMN1; SMN2AKR1C3AKR1C2

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 1101 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2140853-B1 Coated particle for use in cosmetics HENKEL AG & CO KGAA (DE) 2018-07-18 EP claimed
EP-1900393-B1 Hydrogen peroxide activation with diones and imidazoles HENKEL AG & CO KGAA (DE) 2018-02-28 EP claimed
EP-1862198-B1 Brightening and/or dyeing agent with urea derivatives HENKEL AG & CO KGAA (DE) 2017-04-05 EP claimed
EP-2173314-B1 VAPORIZER SOLUTION, AND DYEING METHOD HENKEL AG & CO KGAA (DE) 2014-07-23 EP claimed
EP-1871486-B1 OXIDATION DYES COMPRISING PERSULFATES AND/OR PEROXODISULFATES HENKEL AG & CO KGAA (DE) 2014-07-09 EP claimed
EP-2689803-A2 Protective hair dye with block copolymers Henkel AG&Co. KGAA (DE) 2014-01-29 EP claimed
EP-2689773-A2 Protective hair dye with silicone block copolymers Henkel AG&Co. KGAA (DE) 2014-01-29 EP claimed
EP-2689804-A2 Protective hair dye with silicone(s) and polymer(s) Henkel AG&Co. KGAA (DE) 2014-01-29 EP claimed
EP-1536757-B1 HAIR TREATMENT AGENT HENKEL AG & CO KGAA (DE) 2013-10-23 EP claimed
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 EP claimed
WO-2001003661-A1 AGENT FOR DYEING KERATIN FIBRES CONTAINING AT LEAST ONE AROMATIC NITROSO COMPOUND HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-01-18 WO claimed
WO-2001003660-A1 AGENT FOR DYEING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-01-18 WO claimed
WO-2001003651-A2 AGENT FOR DYEING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-01-18 WO claimed
WO-2000038633-A1 AGENT FOR DYING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-07-06 WO claimed
WO-2000038634-A1 AGENT FOR DYING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-07-06 WO claimed
WO-2000038636-A1 AGENT FOR DYING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-07-06 WO claimed
WO-2000015183-A1 AGENTS FOR DYEING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-03-23 WO claimed
WO-2000015184-A1 METHOD FOR DYEING FIBRES CONTAINING KERATIN USING STABLE DIAZONIUM SALTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-03-23 WO claimed
EP-0840594-A1 OXIDATION COLORANTS FOR DYEING KERATINIC FIBERS, CONTAINING A SPECIAL COMBINATION OF DEVELOPER COMPONENTS AND ALKALISATION AGENTS Henkel Kommanditgesellschaft auf Aktien (DE) 1998-05-13 EP claimed
WO-1997004740-A1 OXIDATION COLORANTS FOR DYEING KERATINIC FIBERS, CONTAINING A SPECIAL COMBINATION OF DEVELOPER COMPONENTS AND ALKALISATION AGENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1997-02-13 WO claimed