SCHEMBL2867570

SCHEMBL2867570

Nc1cc([N+](=O)[O-])ccc1[N+](=O)[O-]

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.73
TSHR P16473 3/20 0.67
CYP3A4 P08684 4/20 0.62
GAA P10253 1/20 0.62
THRB P10828 1/20 0.62
ALDH1A1 P00352 6/20 0.59
GPR35 Q9HC97 3/20 0.59
ALOX15 P16050 2/20 0.56
MEN1 O00255 1/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.55
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HIF1A Q16665 1/20 0.53
HTT P42858 1/20 0.53
TXNRD1 Q16881 1/20 0.52
TXNRD3 Q86VQ6 1/20 0.52

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
SCHEMBL31553358 1.00 TDP1 (0.73) TDP1TSHRCYP3A4GAATHRB
SCHEMBL3102562 0.89 TDP1 (0.76) TDP1TSHRCYP3A4GAATHRB
Hydrochloric Acid SCHEMBL28284546 0.88 TDP1 (0.73) TDP1TSHRCYP3A4GAATHRB
SCHEMBL28866079 0.85 ALDH1A1 (0.69) TDP1TSHRCYP3A4GAATHRB
SCHEMBL30293804 0.84 TDP1 (1.00) TDP1TSHRCYP3A4GAATHRB
SCHEMBL33520 0.84 TDP1 (1.00) TDP1TSHRCYP3A4GAATHRB
SCHEMBL10714696 0.84 TDP1 (0.63) TDP1TSHRCYP3A4GAATHRB
SCHEMBL29353815 0.84 CYP3A4 (0.69) TDP1TSHRCYP3A4GAATHRB
SCHEMBL78293 0.84 CYP3A4 (0.69) TDP1TSHRCYP3A4GAATHRB
Ammonia Solution, Strong SCHEMBL28279786 0.83 ALDH1A1 (0.67) TDP1TSHRCYP3A4GAATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107474016-A A kind of synthetic method of 2 phenylbenzimidazol analog derivatives of amino substitution 浙江清和新材料科技有限公司 2017-12-15 CN claimed
US-20210054211-A1 COMPOSITIONS INCLUDING LIGNIN AND METHODS FOR MAKING THE SAME SARKANEN SIMO (US) 2021-02-25 US disclosed
CN-105567259-B Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal display element, and polymer JSR株式会社 2020-03-13 CN disclosed
WO-2019183350-A1 COMPOSITIONS INCLUDING LIGNIN AND METHODS FOR MAKING THE SAME SARKANEN SIMO (US) 2019-09-26 WO disclosed
CN-107474016-A A kind of synthetic method of 2 phenylbenzimidazol analog derivatives of amino substitution 浙江清和新材料科技有限公司 2017-12-15 CN disclosed
CN-102858850-B Diamine compound, liquid crystal aligning agent and liquid crystal display element NISSAN CHEMICAL IND LTD 2014-12-10 CN disclosed
CN-102858850-A Diamine compound, liquid crystal aligning agent and liquid crystal display element NISSAN CHEMICAL IND LTD 2013-01-02 CN disclosed
CN-101235217-B Black reactive dyestuff and preparation method thereof TIANJIN DEKAI CHEM IND CO LTD 2012-12-19 CN disclosed
EP-1713101-B1 ELECTRODE FOR ENERGY STORAGE DEVICE AND PROCESS FOR PRODUCING THE SAME UNIV YAMAGUCHI (JP) 2012-10-31 EP disclosed
US-7803898-B2 Aminoquinoxaline compound, polyaminoquinoxaline compound, and use thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-09-28 US disclosed
US-4962190-A PRINTING, DYEING CELLULOSE CONTAINING MATERIAL BASF AKTIENGESELLSCHAFT (DE) 1990-10-09 US disclosed
CN-1045781-A N-(3-hydroxy-4-piperidinyl base) (Dihydrobenzofuranes, dihydro-2H-chromene or dihydrobenzo two  English) carboxamides derivatives JANSSEN PHARMACEUTICA NV (BE) 1990-10-03 CN disclosed
EP-0317859-A2 Azo dyes containing polyethylenimine BASF Aktiengesellschaft (DE) 1989-05-31 EP disclosed
EP-0071035-B1 REACTIVE MONO-FUNCTIONAL BISAZO BLUE-BLACK DYE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-11-07 EP disclosed
US-4464297-A Fiber reactive bisazo dye having both a vinylsulfone type reactive group and an ortho-nitrophenyl group SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-08-07 US disclosed
EP-0071035-A1 Reactive mono-functional bisazo blue-black dye SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-02-09 EP disclosed
US-4204970-A Lubricant compositions containing alkylated aromatic amino acid antioxidants STANDARD OIL COMPANY (INDIANA) (US) 1980-05-27 US disclosed
US-4137228-A HIGH TINCTORIAL STRENGTH, COLORFASTNESS CASSELLA AKTIENGESELLSCHAFT (DE) 1979-01-30 US disclosed
US-4136033-A DIAZO COUPLERS SANDOZ LTD. (CH) 1979-01-23 US disclosed
US-4033945-A Water-soluble trisazo 8-amino-naphthol-1 dyes CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1977-07-05 US disclosed