SCHEMBL8777750

SCHEMBL8777750

Nc1cccc2c1C(=O)c1cccc([N+](=O)[O-])c1C2=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.68
PTPRC P08575 2/20 0.62
ADORA2A P29274 2/20 0.59
CSNK2A2 P19784 1/20 0.53
CSNK2B P67870 1/20 0.53
CSNK2A1 P68400 1/20 0.53
CSNK2A3 Q8NEV1 1/20 0.53
MAPT P10636 2/20 0.51
RECQL P46063 1/20 0.51
KMT2A Q03164 1/20 0.51
MCL1 Q07820 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
CA2 P00918 4/20 0.49
CA9 Q16790 4/20 0.49
CA1 P00915 3/20 0.49
POLB P06746 1/20 0.49
APEX1 P27695 1/20 0.49
CASP6 P55212 1/20 0.49
CA7 P43166 1/20 0.49
LCK P06239 2/20 0.47

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
SCHEMBL10813560 0.95 S100A4 (0.66) S100A4PTPRCADORA2ACSNK2A2CSNK2B
SCHEMBL29400632 0.92 S100A4 (0.66) S100A4PTPRCADORA2ACSNK2A2CSNK2B
SCHEMBL2205543 0.92 S100A4 (0.66) S100A4PTPRCADORA2ACSNK2A2CSNK2B
SCHEMBL28441137 0.89 S100A4 (0.58) S100A4PTPRCADORA2ACSNK2A2CSNK2B
SCHEMBL2347136 0.89 S100A4 (0.84) S100A4PTPRCCSNK2A2CSNK2BCSNK2A1
SCHEMBL11317413 0.85 S100A4 (0.78) S100A4PTPRCCSNK2A2CSNK2BCSNK2A1
SCHEMBL9305424 0.85 S100A4 (0.62) S100A4PTPRCADORA2ACSNK2A2CSNK2B
Anthraquinone SCHEMBL27736010 0.84 S100A4 (0.79) S100A4PTPRCADORA2ACSNK2A2CSNK2B
SCHEMBL11210972 0.84 S100A4 (0.75) S100A4PTPRCCSNK2A2CSNK2BCSNK2A1
SCHEMBL156735 0.84 S100A4 (0.79) S100A4PTPRCADORA2ACSNK2A2CSNK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0103986-B1 ORGANIC ANTHRAQUINONE DYES CONTAINING SILANE GROUPS,PIGMENTS AND PROCESS FOR PREPARING THE SAME Montedison S.p.A. (IT) 1987-04-08 EP claimed
EP-0103986-A2 Organic anthraquinone dyes containing silane groups,pigments and process for preparing the same Montedison S.p.A. (IT) 1984-03-28 EP claimed
US-4288362-A Monoazo pigments containing a quinazo linonylacetoacetanilide coupling component BAYER AKTIENGESELLSCHAFT (DE) 1981-09-08 US claimed
CN-105694529-B Cationic reactive dye containing polyether amine chain segment and preparation method thereof 南京工业大学 2017-06-23 CN disclosed
EP-0585873-B1 Method of preparing disazo pigments CLARIANT GMBH (DE) 1997-12-29 EP disclosed
US-5559216-A AZO COUPLING HOECHST AG (DE) 1996-09-24 US disclosed
US-5493011-A PIGMENTING HIGH MOLECULAR WEIGHT NATURAL OR SYNTHETIC ORGANIC MATERIALS HOECHST AG (DE) 1996-02-20 US 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-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-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
US-4225489-A Heterocyclic azo dyes and pigments containing 4-quinazolinone moieties BAYER AKTIENGESELLSCHAFT (DE) 1980-09-30 US disclosed
US-4213909-A Process for the preparation of 1-amino-4-bromoanthraquinone-2-sulfonic acid II BAYER AKTIENGESELLSCHAFT (DE) 1980-07-22 US disclosed
EP-0009700-A1 Process for the preparation 1-isocyanato-anthraquinones BAYER AG (DE) 1980-04-16 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
EP-0008063-A1 Azomethine derivatives of anthraquinones, methods for their preparation, their use in the pigmentation of organic macromolecular compounds and the materials thus obtained BAYER AG (DE) 1980-02-20 EP disclosed
US-4076736-A Preparation of aminoanthraquinones from nitroanthraquinones BAYER AKTIENGESELLSCHAFT (DT) 1978-02-28 US disclosed
US-4065478-A Process for the manufacture of α,α'-aminonitroanthraquinones CIBA-GEIGY AG (CH) 1977-12-27 US disclosed
US-3971740-A DYES FOR POLYESTER FIBERS CIBA-GEIGY AG (CH) 1976-07-27 US disclosed