SCHEMBL4864448

SCHEMBL4864448

Cc1c(Cl)ccc([N+](=O)[O-])c1C

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.57
TSHR P16473 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 1/20 0.50
CYP3A4 P08684 1/20 0.47
VCAM1 P19320 7/20 0.45
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 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
SCHEMBL9719281 0.86 TDP1 (0.71) TDP1TSHRSMN1; SMN2MAPK1CYP3A4
SCHEMBL30503599 0.86 TDP1 (0.71) TDP1TSHRSMN1; SMN2MAPK1CYP3A4
SCHEMBL2910425 0.85 TDP1 (0.67) TDP1TSHRSMN1; SMN2MAPK1CYP3A4
SCHEMBL30256667 0.85 TDP1 (0.67) TDP1TSHRSMN1; SMN2MAPK1CYP3A4
SCHEMBL278506 0.85 TDP1 (0.67) TDP1TSHRSMN1; SMN2MAPK1CYP3A4
SCHEMBL2002527 0.83 TDP1 (0.53) TDP1TSHRSMN1; SMN2MAPK1CYP3A4
SCHEMBL29099822 0.83 TDP1 (0.53) TDP1TSHRSMN1; SMN2MAPK1CYP3A4
SCHEMBL18663666 0.83 TDP1 (0.53) TDP1TSHRSMN1; SMN2MAPK1CYP3A4
SCHEMBL31257796 0.83 TDP1 (0.53) TDP1TSHRSMN1; SMN2MAPK1CYP3A4
SCHEMBL11040922 0.82 TDP1 (0.52) TDP1TSHRSMN1; SMN2MAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101402731-A Polyphenylene sulfide copolymer containing aromatic heterocycle, preparation method, application and product thereof DEYANG KEJI NEW MATERIAL CO LT (CN) 2009-04-08 CN claimed
EP-3870576-B1 BEZOPYRAZOLE DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2024-01-24 EP disclosed
CN-113302178-A Diamine, polyimide derived therefrom, and molded article thereof 本州化学工业株式会社 2021-08-24 CN disclosed
WO-2020158523-A1 NOVEL DIAMINE, NOVEL POLYIMIDE DERIVED THEREFROM, AND MOLDED BODY THEREOF 本州化学工業株式会社 2020-08-06 WO disclosed
CN-108218713-A A kind of method that 2,6- dimethyl -3- chloroanilines are prepared with 2,6- dimethyl nitrobenzenes 福建仁宏医药化工有限公司 2018-06-29 CN disclosed
CN-101921486-B Polyphenylene sulfide compound film or fiber and manufacture method thereof DEYANG KEJI HI TECH MATERIAL CO LTD 2013-01-16 CN disclosed
CN-101665570-B Method for synthesizing low-chloride polyphenylene sulfide resin DEYANG KEJI HI TECH MATERIAL CO LTD 2011-09-14 CN disclosed
CN-101200546-B Method for synthesizing polyphenylene sulfide copolymer containing heteroaromatics DEYANG KEJI NEW MATERIALS CO LTD 2010-12-29 CN disclosed
CN-101665570-A Method for synthesizing low-chloride polyphenylene sulfide resin DEYANG KEJI HI TECH MATERIAL C 2010-03-10 CN disclosed
CN-101402731-A Polyphenylene sulfide copolymer containing aromatic heterocycle, preparation method, application and product thereof DEYANG KEJI NEW MATERIAL CO LT (CN) 2009-04-08 CN disclosed
US-4614817-A FORMYLANILIDES, NITROHALOARENOS AND ALKOXIDES MONSANTO COMPANY (US) 1986-09-30 US disclosed
EP-0148145-A1 Process for making nitrodiarylamines Monsanto Company (US) 1985-07-10 EP disclosed
EP-0147379-A1 Making nitrodiarylamines MONSANTO COMPANY (US) 1985-07-03 EP disclosed
US-4228103-A Effecting condensation of nitrohaloarene and formyl derivative of a primary aromatic amine with alkali metal hydroxide MONSANTO COMPANY (US) 1980-10-14 US disclosed
US-4209463-A Promoting the formation of nitrodiarylamines from nitrohaloarenes, activated aryl amines and sodium carbonates MONSANTO COMPANY (US) 1980-06-24 US disclosed
US-4196146-A Making nitrodiarylamines from formyl derivatives of aromatic amines and nitrohaloarenes by admixing with certain aqueous salt solutions MONSANTO COMPANY (US) 1980-04-01 US disclosed
US-4187248-A FORMANILIDE MONSANTO COMPANY (US) 1980-02-05 US disclosed
US-4187249-A COMPOUNDS OF POTASSIUM, CESIUM, OR RUBIDIUM MONSANTO COMPANY (US) 1980-02-05 US disclosed
US-4140716-A Process for making an amide of formic acid and forming nitrodiarylamine therefrom MONSANTO COMPANY (US) 1979-02-20 US disclosed
US-4060626-A Indole-carboxylic carbon compounds and pharmaceutical compositions containing them BOEHRINGER MANNHEIM G.M.B.H. (DT) 1977-11-29 US disclosed