SCHEMBL400340

SCHEMBL400340

Cc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
ALDH1A1 P00352 3/20 0.60
CYP3A4 P08684 1/20 0.60
RECQL P46063 1/20 0.60
MAPK1 P28482 3/20 0.59
VCAM1 P19320 1/20 0.55
CCR2 P41597 3/20 0.54
HSP90AA1 P07900 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.50
MAPT P10636 2/20 0.50
PPIA P62937 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PDE7A Q13946 1/20 0.49
PDE7B Q9NP56 1/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL30976988 1.00 TSHR (0.60) TSHRALDH1A1CYP3A4RECQLMAPK1
Methyl Alcohol SCHEMBL28263562 0.96 TSHR (0.56) TSHRALDH1A1CYP3A4RECQLMAPK1
SCHEMBL359844 0.83 TSHR (0.64) TSHRALDH1A1CYP3A4MAPK1VCAM1
SCHEMBL29923752 0.83 TSHR (0.64) TSHRALDH1A1CYP3A4MAPK1VCAM1
SCHEMBL1524058 0.80 MAPK1 (0.72) TSHRALDH1A1CYP3A4MAPK1VCAM1
SCHEMBL8150135 0.80 TSHR (0.50) TSHRALDH1A1CYP3A4RECQLMAPK1
SCHEMBL8147363 0.80 TSHR (0.50) TSHRALDH1A1CYP3A4RECQLMAPK1
SCHEMBL11865519 0.79 HSP90AA1 (0.50) TSHRALDH1A1CYP3A4RECQLMAPK1
SCHEMBL25962657 0.79 TSHR (0.64) TSHRALDH1A1MAPK1VCAM1HSP90AA1
SCHEMBL9011808 0.79 CYP3A4 (0.43) TSHRALDH1A1CYP3A4RECQLMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036511-A Method for synthesizing 2-nitro-6-chlorotoluene 湖北可赛化工有限公司 2026-05-15 CN claimed
CN-117567292-A Method for preparing high-purity 5-chloro-2-methylaniline 江苏宝众宝达药业股份有限公司 2024-02-20 CN claimed
CN-115784846-B Preparation method of 2,6-dihydroxytoluene 安徽英特美科技有限公司 2024-01-16 CN claimed
CN-117126108-A Preparation method of Ensitrelvir intermediate 重庆博腾制药科技股份有限公司 2023-11-28 CN claimed
CN-116570948-B Rectifying separation tower for preparing 5-chloro-2-methylaniline and preparation method 山东格林泰新材料有限公司 2023-09-08 CN claimed
CN-116440846-B Chlorination separation equipment for improving yield of 6-chloro-2-nitrotoluene and preparation method 山东格林泰新材料有限公司 2023-08-15 CN claimed
CN-116570948-A Rectifying separation tower for preparing 5-chloro-2-methylaniline and preparation method 山东格林泰新材料有限公司 2023-08-11 CN claimed
CN-116440846-A Chlorination separation equipment for improving yield of 6-chloro-2-nitrotoluene and preparation method 山东格林泰新材料有限公司 2023-07-18 CN claimed
CN-115784846-A Preparation method of 2,6-dihydroxytoluene 安徽英特美科技有限公司 2023-03-14 CN claimed
CN-113754543-B Method for separating high-boiling-point isomer by utilizing gas phase adsorption of hierarchical pore silicon molecular sieve 南京工业大学 2022-09-20 CN claimed
EP-1493061-A4 POLYMERIC ANTIREFLECTIVE COATINGS DEPOSITED BY PLASMA ENHANCED CHEMICAL VAPOR DEPOSITION BREWER SCIENCE INC (US) 2009-01-07 EP claimed
WO-2008156656-A2 METHOD FOR MAKING BIARYL COMPOUNDS, COMPOUNDS MADE BY THE METHOD, AND METHOD FOR THEIR USE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 2008-12-24 WO claimed
US-20070265466-A1 Process for the coupled production of chlorline and isocyanates BAYER MATERIALSCIENCE AG 2007-11-15 US claimed
US-7132219-B2 Polymeric antireflective coatings deposited by plasma enhanced chemical vapor deposition BREWER SCIENCE INC. (US) 2006-11-07 US claimed
CN-1690040-A 3,5-dichloroaniline preparing process YANCHENG GUANGXIN CHEMICAL CO (CN) 2005-11-02 CN claimed
EP-1493061-A2 POLYMERIC ANTIREFLECTIVE COATINGS DEPOSITED BY PLASMA ENHANCED CHEMICAL VAPOR DEPOSITION Brewer Science, Inc. (US) 2005-01-05 EP claimed
US-20030219541-A1 Polymeric antireflective coatings deposited by plasma enhanced chemical vapor deposition BREWER SCIENCE, INC. 2003-11-27 US claimed
WO-2003087233-A2 POLYMERIC ANTIREFLECTIVE COATINGS DEPOSITED BY PLASMA ENHANCED CHEMICAL VAPOR DEPOSITION BREWER SCIENCE, INC. (US) 2003-10-23 WO claimed
US-4375550-A Hydrogenation of halogen-substituted aromatic nitro compounds JOHNSON, MATTHEY & CO., LIMITED (GB) 1983-03-01 US claimed
US-4198350-A Amination/demethylation process STANDARD OIL COMPANY (INDIANA) (US) 1980-04-15 US claimed