SCHEMBL460989

SCHEMBL460989

CCc1cc([N+](=O)[O-])ccc1N

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.66
POLB P06746 2/20 0.66
TDP1 Q9NUW8 5/20 0.60
ALDH1A1 P00352 5/20 0.60
CYP3A4 P08684 3/20 0.60
TSHR P16473 4/20 0.58
GAA P10253 1/20 0.53
THRB P10828 1/20 0.53
LMNA P02545 2/20 0.49
S1PR4 O95977 1/20 0.49
RAB9A P51151 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MCL1 Q07820 1/20 0.46
CYP1A2 P05177 1/20 0.45
LOXL2 Q9Y4K0 1/20 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
SCHEMBL588348 0.88 CYP3A4 (0.63) HTTPOLBTDP1ALDH1A1CYP3A4
SCHEMBL7122749 0.87 TDP1 (0.55) HTTPOLBTDP1ALDH1A1CYP3A4
Nitrogen SCHEMBL28276545 0.85 CYP3A4 (0.59) HTTPOLBTDP1ALDH1A1CYP3A4
SCHEMBL10034862 0.84 TDP1 (0.57) HTTPOLBTDP1ALDH1A1CYP3A4
SCHEMBL7921397 0.84 TDP1 (0.51) HTTPOLBTDP1ALDH1A1CYP3A4
SCHEMBL7566464 0.83 POLB (0.59) HTTPOLBTDP1ALDH1A1CYP3A4
SCHEMBL6549530 0.83 TDP1 (0.50) HTTPOLBTDP1ALDH1A1CYP3A4
SCHEMBL1922592 0.82 GAA (0.56) HTTPOLBTDP1ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL1752261 0.82 TDP1 (0.55) HTTPOLBTDP1ALDH1A1CYP3A4
SCHEMBL10889681 0.82 TDP1 (0.55) HTTPOLBTDP1ALDH1A1CYP3A4

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
WO-2021149703-A1 COLORED DISPERSION, RECORDING MEDIUM, AND TEXTILE PRINTING METHOD FOR HYDROPHOBIC FIBERS 日本化薬株式会社 2021-07-29 WO disclosed
EP-3676255-A1 THERAPEUTIC INDAZOLES Rutgers, The State University University Of New Jersey (US) 2020-07-08 EP disclosed
CN-106715430-B inhibition of transient receptor potential A1 ion channels 伊莱利利公司 2019-09-17 CN disclosed
WO-2019046467-A1 THERAPEUTIC INDAZOLES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-03-07 WO disclosed
US-9701691-B2 Thienopyrimidine compounds HOFFMAN-LA ROCHE INC. (US) 2017-07-11 US disclosed
EP-2802590-B1 THIENOPYRIMIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-03-01 EP disclosed
CN-104159904-B Thienopyrimidine compounds 霍夫曼-拉罗奇有限公司 2016-12-14 CN disclosed
US-9309185-B2 Process for preparing primary intermediates for dyeing keratin fibers THE PROCTER & GAMBLE COMPANY (US) 2016-04-12 US disclosed
US-9012691-B2 Process for preparing primary intermediates for dyeing keratin fibers THE PROCTER & GAMBLE COMPANY (US) 2015-04-21 US disclosed
EP-2802590-A1 THIENOPYRIMIDINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2014-11-19 EP disclosed
US-5668260-A Tetrakisazo Compounds, the method of preparation thereof and the process of pyeing HOECHT AKTIENGE SELLSCHAFT (DE) 1997-09-16 US disclosed
US-5609796-A MIXTURE OF DISAZO AND TRISAZO DYES, METALLIZED DYES, IN POLYVINYL ALCOHOL FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-03-11 US disclosed
EP-0738764-A1 Tetrakisazo compounds, their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1996-10-23 EP disclosed
EP-0648814-A1 Dye containing polarizing film SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-04-19 EP disclosed
US-4431585-A THIAZOLE AND THIOPHENE DYES; DIAZOTIZATION; COUPLING CASSELLA AKTIENGESELLSCHAFT (DE) 1984-02-14 US disclosed
EP-0035671-A1 Water-insoluble azo dyestuffs, methods for their preparation and their use in dyeing and printing synthetic hydrophobic fibre materials CASSELLA Aktiengesellschaft (DE) 1981-09-16 EP disclosed
US-4124593-A ANTICONVULSANTS, EPILEPSY CIBA-GEIGY CORPORATION (US) 1978-11-07 US disclosed
US-4058518-A Water-insoluble monoazo 3-cyano-4-methyl-6-hydroxy-2-pyridine dyestuffs CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1977-11-15 US disclosed
US-4025505-A ANTICONVULSANTS CIBA-GEIGY CORPORATION (US) 1977-05-24 US disclosed
US-3993441-A MONOAZO DYE CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-11-23 US disclosed