SCHEMBL6577966

SCHEMBL6577966

O=C(CO)c1cc(Cl)cc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALOX5 P09917 1/20 0.42
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
TTR P02766 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
GSK3B P49841 1/20 0.39
GPR35 Q9HC97 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL11067722 0.87 CYP3A4 (0.59) CYP3A4SMN1; SMN2ALOX5ALDH1A1TSHR
SCHEMBL9999712 0.87 CYP3A4 (0.53) CYP3A4SMN1; SMN2ALOX5ALDH1A1TSHR
SCHEMBL2448703 0.86 CYP3A4 (0.46) CYP3A4SMN1; SMN2ALOX5ALDH1A1TDP1
SCHEMBL16961009 0.83 ALDH1A1 (0.42) CYP3A4SMN1; SMN2ALOX5ALDH1A1TDP1
SCHEMBL6771209 0.81 TSHR (0.59) CYP3A4SMN1; SMN2ALOX5ALDH1A1TSHR
SCHEMBL2002587 0.80 TPMT (0.59) CYP3A4SMN1; SMN2ALOX5ALDH1A1TDP1
SCHEMBL11689544 0.80 ALDH1A1 (0.58) CYP3A4SMN1; SMN2ALOX5ALDH1A1TDP1
SCHEMBL6582839 0.79 CYP3A4 (0.46) CYP3A4SMN1; SMN2ALOX5ALDH1A1TSHR
SCHEMBL7629781 0.79 SMN1; SMN2 (0.46) CYP3A4SMN1; SMN2ALOX5ALDH1A1TSHR
SCHEMBL11069495 0.79 NPC1 (0.59) CYP3A4SMN1; SMN2ALDH1A1TSHRLMNA

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107698452-B Synthetic method of 3-amino-2-hydroxyacetophenone 黑龙江鑫创生物科技开发有限公司 2020-06-02 CN claimed
CN-107698452-A A kind of synthetic method of the hydroxy acetophenone of 3 amino 2 黑龙江鑫创生物科技开发有限公司 2018-02-16 CN claimed
CN-104402728-A Preparation method for 5-chlorine-2-hydroxyl-3-nitroacetophenone SHANDONG JINCHENG PHARMACEUTICAL & CHEMICAL CO LTD 2015-03-11 CN claimed
CN-102050817-A Synthetic method of N-(4-oxo-6-X-1H-benzofuran-2-tetrazole)-4-phenylbutoxy benzamide UNIV EAST CHINA SCIENCE & TECH 2011-05-11 CN claimed
JP-9040619-A None JP disclosed
CN-117534556-A Novel lithium extractant, liquid organic mixture thereof and method for extracting lithium by extraction 北京索特莱克科技发展有限公司 2024-02-09 CN disclosed
WO-2024027447-A1 NEW LITHIUM EXTRACTING AGENT AND LIQUID ORGANIC MIXTURE THEREOF, AND METHOD FOR EXTRACTING LITHIUM BY MEANS OF EXTRACTION 北京索特莱克科技发展有限公司 2024-02-08 WO disclosed
CN-107698452-B Synthetic method of 3-amino-2-hydroxyacetophenone 黑龙江鑫创生物科技开发有限公司 2020-06-02 CN disclosed
CN-107698452-A A kind of synthetic method of the hydroxy acetophenone of 3 amino 2 黑龙江鑫创生物科技开发有限公司 2018-02-16 CN disclosed
CN-104402728-A Preparation method for 5-chlorine-2-hydroxyl-3-nitroacetophenone SHANDONG JINCHENG PHARMACEUTICAL & CHEMICAL CO LTD 2015-03-11 CN disclosed
CN-104402728-A Preparation method for 5-chlorine-2-hydroxyl-3-nitroacetophenone SHANDONG JINCHENG PHARMACEUTICAL & CHEMICAL CO LTD 2015-03-11 CN disclosed
CN-104402728-A Preparation method for 5-chlorine-2-hydroxyl-3-nitroacetophenone SHANDONG JINCHENG PHARMACEUTICAL & CHEMICAL CO LTD 2015-03-11 CN disclosed
EP-0716088-B1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL CO (JP) 2004-02-18 EP disclosed
US-5679859-A TREATING 3-AMINO-2-HYDROXYACETOPHENONE OR HYDROGEN HALIDE SALT THEREOF WITH SULFURIC ACID IN SOLVENT TO IMPROVE BULK DENSITY AND FLOW PROPERTIES SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1997-10-21 US disclosed
JP-H0940619-A PRODUCTION OF 2-ALKANOYL-4-HALOGENO-6-NITROPHENOL SUMITOMO CHEM CO LTD 1997-02-10 JP disclosed
US-5597929-A Production process of 2-(tetrazol-5-yl)-4-oxo-4H-benzopyran SUMITOMO CHEMICAL CO., LTD. (JP) 1997-01-28 US disclosed
EP-0716088-A1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-06-12 EP disclosed