SCHEMBL3375833

SCHEMBL3375833

Nc1c(OC(=O)O)cc([N+](=O)[O-])c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
POLB P06746 3/20 0.48
APEX1 P27695 1/20 0.48
CASP6 P55212 1/20 0.48
MAPK1 P28482 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
THRB P10828 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
PKM P14618 1/20 0.44
MCL1 Q07820 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 2/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL10696752 0.90 MAPT (0.48) MAPTPOLBAPEX1CASP6MAPK1
SCHEMBL10607101 0.89 MAPT (0.47) MAPTPOLBAPEX1CASP6MAPK1
SCHEMBL11115398 0.88 MAPT (0.44) MAPTPOLBAPEX1CASP6MAPK1
SCHEMBL11287834 0.86 POLB (0.49) MAPTPOLBAPEX1CASP6MAPK1
SCHEMBL11212007 0.82 MAPT (0.55) MAPTPOLBAPEX1CASP6MAPK1
SCHEMBL11345777 0.81 MEN1 (0.61) MAPTPOLBMAPK1MEN1KMT2A
SCHEMBL28149903 0.81 MAPT (0.46) MAPTPOLBAPEX1CASP6MAPK1
SCHEMBL31361445 0.80 MAPT (0.65) MAPTPOLBAPEX1CASP6MAPK1
SCHEMBL5011555 0.80 MAPT (0.65) MAPTPOLBAPEX1CASP6MAPK1
SCHEMBL11110059 0.79 ELANE (0.48) MAPTPOLBAPEX1CASP6MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971575-B1 ANTHRAQUINONE DERIVATIVES AS MARKERS FOR LIQUIDS BASF SE (DE) 2010-04-21 EP disclosed
EP-1971575-A1 ANTHRAQUINONE DERIVATIVES AS MARKERS FOR LIQUIDS BASF SE (DE) 2008-09-24 EP disclosed
WO-2008074709-A1 ANTHRAQUINONE DERIVATIVES AS MARKERS FOR LIQUIDS BASF SE (DE) 2008-06-26 WO disclosed
EP-0585873-B1 Method of preparing disazo pigments CLARIANT GMBH (DE) 1997-12-29 EP disclosed
EP-0518909-B1 WATER-INSOLUBLE AZO DYES, THEIR MANUFACTURE AND USE HOECHST AG (DE) 1994-05-25 EP disclosed
EP-0585873-A1 Method of preparing disazo pigments HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-09 EP disclosed
EP-0382053-B1 PROCESS FOR THE PREPARATION OF ANTHRAQUINONE DERIVATIVES BASF Aktiengesellschaft (DE) 1993-09-22 EP disclosed
EP-0518909-A1 WATER-INSOLUBLE AZO DYES, THEIR MANUFACTURE AND USE. HOECHST AG (DE) 1992-12-23 EP disclosed
EP-0316649-B1 WATER INSOLUBLE AZO COLOURING AGENTS, THEIR PREPARATION AND USE HOECHST AKTIENGESELLSCHAFT (DE) 1992-07-22 EP disclosed
EP-0326866-B1 PROCESS FOR THE PREPARATION OF ARYL AMINE OF THE ANTHRAQUINONE SERIES BASF Aktiengesellschaft (DE) 1992-01-02 EP disclosed
EP-0023666-B1 ANTHRAQUINONE-AZOMETHINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AS WELL AS A PROCESS FOR PIGMENTING ORGANIC MACROMOLECULAR MATERIALS BAYER AG (DE) 1982-10-13 EP disclosed
EP-0058866-A1 Anthraquinone-azo compounds, their preparation and use BAYER AG (DE) 1982-09-01 EP disclosed
EP-0023648-B1 ANTHRAQUINONE-AZOMETHINE COMPOUNDS, PROCESS FOR THEIR PREPARATION; PROCESS FOR DYEING SYNTHETIC FIBRE MATERIALS AS WELL AS FOR PIGMENTING ORGANIC MACROMOLECULAR MATERIALS BAYER AG (DE) 1982-06-23 EP disclosed
EP-0043937-A2 Anthraquinone-azo compounds, their preparation and their use BAYER AG (DE) 1982-01-20 EP disclosed
EP-0005206-B1 METHOD OF PREPARING 1,4-DIAMINOANTHRAQUINONE-2-CARBOXYLIC ACID CIBA-GEIGY AG (CH) 1981-04-01 EP disclosed
EP-0023617-A1 Anthraquinone-azo compounds, process for their preparation and their use as pigments BAYER AG (DE) 1981-02-11 EP disclosed
EP-0023666-A1 Anthraquinone-azomethine compounds, process for their preparation as well as a process for pigmenting organic macromolecular materials BAYER AG (DE) 1981-02-11 EP disclosed
EP-0023648-A1 Anthraquinone-azomethine compounds, process for their preparation; process for dyeing synthetic fibre materials as well as for pigmenting organic macromolecular materials BAYER AG (DE) 1981-02-11 EP disclosed
EP-0018538-A2 Anthraquinone derivatives, process for their preparation, process for the pigmentation of organic macromolecular materials and pigmented organic macromolecular material BAYER AG (DE) 1980-11-12 EP disclosed
EP-0008627-A2 Quinazoline derivatives, azo dyes derived from the quinazolines and their use as pigments BAYER AG (DE) 1980-03-19 EP disclosed