SCHEMBL670917

SCHEMBL670917

O=[N+]([O-])c1c(Cl)cccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.58
ALDH1A1 P00352 3/20 0.58
TDP1 Q9NUW8 5/20 0.52
HSP90AA1 P07900 1/20 0.48
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
GPR35 Q9HC97 1/20 0.45
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.43
TLR8 Q9NR97 1/20 0.42
MAPK1 P28482 1/20 0.41
CYP3A4 P08684 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL28285744 0.91 ALDH1A1 (0.50) TSHRALDH1A1TDP1HSP90AA1GRIN2D
Formic Acid SCHEMBL28829433 0.89 ALDH1A1 (0.48) TSHRALDH1A1TDP1HSP90AA1GRIN2D
SCHEMBL41402 0.86 TSHR (0.59) TSHRALDH1A1TDP1GPR35HPGD
SCHEMBL11328561 0.86 TSHR (0.45) TSHRALDH1A1TDP1HSP90AA1GRIN2D
SCHEMBL29763129 0.86 TSHR (0.59) TSHRALDH1A1TDP1GPR35HPGD
Phenol SCHEMBL28068525 0.85 GRIN2D (0.46) TSHRALDH1A1TDP1HSP90AA1GRIN2D
Toluene SCHEMBL28853124 0.85 ALDH1A1 (0.50) TSHRALDH1A1TDP1GRIN2DGRIN3B
SCHEMBL2266564 0.84 TSHR (0.43) TSHRALDH1A1TDP1HSP90AA1GRIN2D
SCHEMBL1273867 0.84 GPR35 (0.62) TSHRALDH1A1TDP1HSP90AA1GRIN2D
SCHEMBL4714749 0.84 TSHR (0.43) TSHRALDH1A1TDP1HSP90AA1GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119219534-B Synthesis method and application of o-amino disulfide and benazolin ethyl ester key intermediate 4-chlorobenzothiazole 鄂尔多斯应用技术学院 2025-04-08 CN claimed
CN-119735939-A Resin composition, prepreg, laminate and method for producing the same 广东盈骅新材料科技有限公司 2025-04-01 CN claimed
CN-119219534-A Synthesis method and application of o-amino disulfide and benazolin ethyl ester key intermediate 4-chlorobenzothiazole 鄂尔多斯应用技术学院 2024-12-31 CN claimed
CN-117326949-A Preparation method of 2, 4-dichloro-3-nitrobenzoic acid 清源创新实验室 2024-01-02 CN claimed
CN-117288860-A Analysis method of genotoxic impurities in flurbiprofen 湖南九典宏阳制药有限公司 2023-12-26 CN claimed
CN-116903445-A Preparation method of 2-fluoro-6-chlorophenol 江苏乾元生物科技有限公司 2023-10-20 CN claimed
CN-115159851-A Anti-sticking glass glaze for automobiles and preparation method thereof 江苏拜富科技股份有限公司 2022-10-11 CN claimed
CN-110632199-B Method for simultaneously determining content of coexisting impurities in 2, 4-difluoroaniline 天地恒一制药股份有限公司 2022-08-16 CN claimed
CN-110632199-A Method for simultaneously determining content of coexisting impurities in 2, 4-difluoroaniline 天地恒一制药股份有限公司 2019-12-31 CN claimed
US-10256408-B2 Composition and method for preparation of organic electronic devices MERCK PATENT GMBH (DE) 2019-04-09 US claimed
CN-104011010-A Diphenylamine compound and method for producing same IHARA CHEMICAL IND CO 2014-08-27 CN claimed
US-20130105387-A1 TREATMENT FOR DEPOLLUTING WATER CONTAMINATED BY MICRO POLLUTANTS AND/OR EMERGENT POLLUTANTS, NOTABLY BY ORGANOCHLORINATED COMPOUNDS RHODIA OPERATIONS (FR) 2013-05-02 US claimed
EP-2582634-A1 DECONTAMINATION TREATMENT OF WATER CONTAMINATED BY EMERGENT POLLUTANTS AND/OR MICROPOLLUTANTS, ESPECIALLY BY ORGANOCHLORINE COMPOUNDS Phytorestore (FR) 2013-04-24 EP claimed
WO-2011157406-A1 DECONTAMINATION TREATMENT OF WATER CONTAMINATED BY EMERGENT POLLUTANTS AND/OR MICROPOLLUTANTS, ESPECIALLY BY ORGANOCHLORINE COMPOUNDS PHYTORESTORE (FR) 2011-12-22 WO claimed
CN-1070880-C Method for preparing polyarylene sulfide with high molecular and high toughness UNIV SICHUAN UNITED (CN) 2001-09-12 CN claimed
CN-1061666-C Method for atmospheric prepn. of polyarylthio-ether by using Na hydrosulfide UNIV SICHUAN UNITED (CN) 2001-02-07 CN claimed
CN-1145375-A Method for atmospheric prepn. of polyarylthio-ether by using Na hydrosulfide UNIV SICHUAN UNITED (CN) 1997-03-19 CN claimed
CN-1143652-A Method for preparing polyarylene sulfide with high molecular and high toughness UNIV SICHUAN UNION (CN) 1997-02-26 CN claimed
US-4959487-A NITROAROMATIC HALIDE IDEMITSU KOSAN CO., LTD. (JP) 1990-09-25 US claimed
EP-0334188-A2 Process for producing aromatic nitrile IDEMITSU KOSAN COMPANY LIMITED (JP) 1989-09-27 EP claimed