SCHEMBL7052671

SCHEMBL7052671

O=C(O)c1cc(CBr)cnc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
AGER Q15109 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTPN1 P18031 1/20 0.37
ASPH Q12797 8/20 0.36
KDM8 Q8N371 8/20 0.36
KLKB1 P03952 1/20 0.35
CTSB P07858 1/20 0.35
MMP9 P14780 1/20 0.35
DNMT1 P26358 1/20 0.35
DNMT3B Q9UBC3 1/20 0.35
DNMT3L Q9UJW3 1/20 0.35
DNMT3A Q9Y6K1 1/20 0.35

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
Trimethylammonium SCHEMBL2411026 0.93 KDM4E (0.36) KDM4EALDH1A1CYP3A4MAPTALOX15
Pyridine SCHEMBL2410384 0.91 KDM4E (0.41) KDM4EALDH1A1CYP3A4MAPTALOX15
Nitric Acid SCHEMBL7047310 0.91 KDM4E (0.34) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL28174771 0.84 CYP4F2 (0.44) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL29280504 0.84 CYP4F2 (0.44) KDM4EALDH1A1MAPTALOX15TSHR
SCHEMBL30530135 0.84 CYP4F2 (0.44) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL23500803 0.83 GABRP (0.32) KDM4EASPHKDM8GABRPGABRD
SCHEMBL2486333 0.83 KDM4E (0.41) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL351540 0.81 GABRP (0.46) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL2487883 0.81 KDM4E (0.40) KDM4EALDH1A1CYP3A4MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0601288-B1 Substituted 2,3-dicarboxypyridinium nitrates BASF AG (DE) 2003-05-02 EP claimed
CN-222076592-U Acidification kettle for producing 5-methyl-pyridine-2, 3-dicarboxylic acid diethyl ester 苏州嘉实稳博新能源有限公司 2024-11-29 CN disclosed
CN-114904474-B Device and method for reacting diethyl 5-bromomethylpyridine-2, 3-dicarboxylic acid 内蒙古新农基科技有限公司 2024-02-09 CN disclosed
CN-116715626-A Intermediate for preparing imidazolinone compound (I) and application thereof 山东先达农化股份有限公司 2023-09-08 CN disclosed
CN-107216286-B Preparation method of 5-bromomethyl-2, 3-pyridine dimethyl dicarboxylate 江苏省农用激素工程技术研究中心有限公司 2020-03-31 CN disclosed
CN-107235895-A The method for preparing the dicarboxylic acid derivatives of 5 methoxypicoline 2,3 of substitution 巴斯夫欧洲公司 2017-10-10 CN disclosed
CN-107216286-A The preparation method of the pyridinedicarboxylic acid dimethyl ester of 5 bromomethyl 2,3 江苏省农用激素工程技术研究中心有限公司 2017-09-29 CN disclosed
CN-102245575-B Process for preparing substituted 5-methoxymethylpyridine-2, 3-dicarboxylic acid derivatives 巴斯夫欧洲公司 2017-07-28 CN disclosed
EP-0434965-B1 Alkyl esters of 5-heterocyclic-pyridine-2,3-dicarboxylic acids and 5-heterocyclic 2-(2-imidazolin-2-yl) pyridines and methods for preparation thereof AMERICAN CYANAMID CO (US) 1998-05-20 EP disclosed
EP-0548532-B1 5,6-Disubstituted-3-pyridylmethyl ammonium halide compounds useful for the preparation of 5-(substituted methyl)-2,3-pyridinedicarboxylic acids AMERICAN CYANAMID CO (US) 1997-04-16 EP disclosed
US-5288866-A Chemical intermediates in the preparation of purity herbicides AMERICAN CYANAMID COMPANY (US) 1994-02-22 US disclosed
US-5283230-A Pre- and post-emergence herbicides AMERICAN CYANAMID COMPANY (US) 1994-02-01 US disclosed
US-5239070-A Herbicide intermediates AMERICAN CYANAMID COMPANY (US) 1993-08-24 US disclosed
US-5225564-A Acetalization, amination or sulfiding in a solvent AMERICAN CYANAMID COMPANY (US) 1993-07-06 US disclosed
EP-0548532-A1 5,6-Disubstituted-3-pyridylmethyl ammonium halide compounds useful for the preparation of 5-(substituted methyl)-2,3-pyridinedicarboxylic acids AMERICAN CYANAMID COMPANY (US) 1993-06-30 EP disclosed
US-5166060-A Prepared by the action of 2,3-dihydroxybenzoate-3,4-dioxygenase on 2,3-dihydroxybenzoic acid CELGENE CORPORATION (US) 1992-11-24 US disclosed
US-5039333-A 5-heterocyclic 2-(2-imidazolin-2-yl)pyridines, useful as herbicidal agents AMERICAN CYANAMID COMPANY 1991-08-13 US disclosed
EP-0434965-A2 Alkyl esters of 5-heterocyclic-pyridine-2,3-dicarboxylic acids and 5-heterocyclic 2-(2-imidazolin-2-yl) pyridines and methods for preparation thereof AMERICAN CYANAMID COMPANY (US) 1991-07-03 EP disclosed
US-5026859-A Intermediates for herbicides AMERICAN CYANAMID COMPANY (US) 1991-06-25 US disclosed
EP-0390102-A2 Process for the preparation of pyridine-2,3-dicarboxylic acids CELGENE CORPORATION (US) 1990-10-03 EP disclosed