SCHEMBL80032

SCHEMBL80032

Cc1cc([N+](=O)[O-])c(C)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPIA P62937 1/20 0.47
TSHR P16473 5/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47
RECQL P46063 1/20 0.47
MAPK1 P28482 1/20 0.45
MAPT P10636 2/20 0.44
HSD17B10 Q99714 1/20 0.43
GPR35 Q9HC97 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
HSP90AA1 P07900 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
CCR6 P51684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NLRP1 Q9C000 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
SCHEMBL29586844 1.00 PPIA (0.47) PPIATSHRALDH1A1CYP3A4CYP1A2
SCHEMBL5068830 0.91 PPIA (0.47) PPIATSHRALDH1A1CYP3A4CYP1A2
SCHEMBL29804082 0.89 TSHR (0.48) PPIATSHRALDH1A1CYP3A4CYP1A2
SCHEMBL3175084 0.89 TSHR (0.48) PPIATSHRALDH1A1CYP3A4CYP1A2
SCHEMBL772624 0.89 CYP1A2 (0.48) PPIATSHRALDH1A1CYP3A4CYP1A2
SCHEMBL1626324 0.87 TSHR (0.50) PPIATSHRALDH1A1CYP3A4CYP1A2
SCHEMBL864500 0.87 TSHR (0.50) PPIATSHRALDH1A1CYP3A4CYP1A2
SCHEMBL29721556 0.87 TSHR (0.50) PPIATSHRALDH1A1CYP3A4CYP1A2
Bromide SCHEMBL4989837 0.87 TSHR (0.47) PPIATSHRALDH1A1CYP3A4CYP1A2
SCHEMBL16013560 0.87 TSHR (0.50) PPIATSHRALDH1A1CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109305918-B Synthesis method of halogenated aniline 中国石油化工股份有限公司 2022-10-21 CN claimed
CN-109305919-B Synthesis method of halogenated aniline 中国石油化工股份有限公司 2022-04-12 CN claimed
CN-109305917-B Synthesis method of halogenated aniline 中国石油化工股份有限公司 2021-11-12 CN claimed
CN-109304177-B Synthesis method of halogenated aniline 中国石油化工股份有限公司 2021-06-11 CN claimed
CN-111470976-A Synthesis method of halogenated aniline 中国石油化工股份有限公司 2020-07-31 CN claimed
CN-111470977-A Synthesis method of halogenated aniline 中国石油化工股份有限公司 2020-07-31 CN claimed
CN-111470974-A Synthesis method of halogenated aniline 中国石油化工股份有限公司 2020-07-31 CN claimed
CN-111470978-A Synthesis method of halogenated aniline 中国石油化工股份有限公司 2020-07-31 CN claimed
CN-101665570-B Method for synthesizing low-chloride polyphenylene sulfide resin DEYANG KEJI HI TECH MATERIAL CO LTD 2011-09-14 CN claimed
CN-101665570-A Method for synthesizing low-chloride polyphenylene sulfide resin DEYANG KEJI HI TECH MATERIAL C 2010-03-10 CN claimed
CN-122010905-A Pyrazolyl derivatives as anticancer agents 诺华股份有限公司 2026-05-12 CN disclosed
EP-4344702-B1 PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS NOVARTIS AG (CH) 2026-01-28 EP disclosed
EP-4653423-A1 PYRAZOL-5-ETHER COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF CAC Nantong Chemical Co., Ltd. (CN) 2025-11-26 EP disclosed
CN-120943782-A Preparation method of pyrazole ether compound 南通泰禾化工股份有限公司 2025-11-14 CN disclosed
CN-119977841-A Amidine compound containing oxime ether as well as preparation method and application thereof 南通泰禾化工股份有限公司 2025-05-13 CN 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-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-3966830-A SILICA, ALUMINA TEIJIN LIMITED (JA) 1976-06-29 US disclosed