SCHEMBL2308076

SCHEMBL2308076

O=CNc1cccnc1NC=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
DHODH Q02127 4/20 0.37
ALDH1A1 P00352 2/20 0.37
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
KDM5A P29375 2/20 0.34
PABPC1 P11940 1/20 0.34
MAPK10 P53779 1/20 0.33
GFER P55789 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL22300096 0.86 TSHR (0.36) TSHRDHODHALDH1A1HTTMAPT
SCHEMBL18534511 0.79 TSHR (0.40) TSHRALDH1A1TRIM24TRIM33HTT
SCHEMBL9801015 0.78 MAPT (0.53) ALDH1A1HTTMAPTSMN1; SMN2KMT2A
SCHEMBL6589447 0.78 TRIM24 (0.52) TSHRALDH1A1TRIM24TRIM33HTT
SCHEMBL9209140 0.78 CA12 (0.46) ALDH1A1TRIM24TRIM33HTTMAPT
SCHEMBL25043764 0.78 NAPRT (0.41) TSHRALDH1A1TRIM24TRIM33HTT
SCHEMBL15435554 0.78 TSHR (0.42) TSHRALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL15209522 0.78 ALDH1A1 (0.47) DHODHALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL6578328 0.78 BACE1 (0.47) TSHRALDH1A1TRIM24TRIM33KMT2A
SCHEMBL10430438 0.78 P2RX7 (0.41) TSHRALDH1A1TRIM24TRIM33HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113797905-B Pyridine dicarboxamide bridged bis-beta-cyclodextrin stationary phase and preparation method and application thereof 南昌大学 2022-07-12 CN claimed
CN-113797905-A Pyridine dicarboxamide bridged bis-beta-cyclodextrin stationary phase and preparation method and application thereof 南昌大学 2021-12-17 CN claimed
CN-105399663-B A method of preparing 2,3- dichloropyridines 山东天信化工有限公司 2018-09-14 CN claimed
CN-105399663-A 2, 3-dichloropyridine preparation method SHANDONG TIANXIN CHEMICAL CO LTD 2016-03-16 CN claimed
CN-102161640-A 3,5-diaminopyridine and preparation method of 3,5-dimethoxycarboxylaminopyridine UNIV NANJING SCIENCE & TECH 2011-08-24 CN claimed
CN-1349507-A Pyridine-2,3-dicarboxylic acid diamides BASF AG (DE) 2002-05-15 CN claimed
WO-2023180457-A1 SYNTHETIC GLYCEROPHOSPHOLIPIDS COMPRISING AT LEAST ONE REACTIVE FUNCTION, PROCESS FOR PREPARING SAME AND USES THEREOF IN DIFFERENT APPLICATIONS UNIVERSITE DE ROUEN-NORMANDIE (FR) 2023-09-28 WO disclosed
CN-115772081-A Preparation method of 4-ethoxy-2-methylal 万华化学集团股份有限公司 2023-03-10 CN disclosed
CN-114790167-A Preparation method of 2, 3-dichloropyridine 北京弗莱明科技有限公司 2022-07-26 CN disclosed
CN-113797905-B Pyridine dicarboxamide bridged bis-beta-cyclodextrin stationary phase and preparation method and application thereof 南昌大学 2022-07-12 CN disclosed
CN-113797905-A Pyridine dicarboxamide bridged bis-beta-cyclodextrin stationary phase and preparation method and application thereof 南昌大学 2021-12-17 CN disclosed
CN-105399663-B A method of preparing 2,3- dichloropyridines 山东天信化工有限公司 2018-09-14 CN disclosed
CN-105399663-A 2, 3-dichloropyridine preparation method SHANDONG TIANXIN CHEMICAL CO LTD 2016-03-16 CN disclosed
CN-102161640-A 3,5-diaminopyridine and preparation method of 3,5-dimethoxycarboxylaminopyridine UNIV NANJING SCIENCE & TECH 2011-08-24 CN disclosed
EP-2351764-A1 TREHALOSE COMPOUND, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL PRODUCT CONTAINING THE COMPOUND Otsuka Chemical Co., Ltd. (JP) 2011-08-03 EP disclosed
US-20100093993-A1 TREHALOSE COMPOUND, PROCESS FOR PRODUCTION OF THE COMPOUND, AND IMMUNO-STIMULATIVE AGENT COMPRISING THE COMPOUND OTSUKA CHEMICAL CO., LTD. (JP) 2010-04-15 US disclosed
EP-2123662-A1 TREHALOSE COMPOUND, PROCESS FOR PRODUCTION OF THE COMPOUND, AND IMMUNO-STIMULATIVE AGENT COMPRISING THE COMPOUND Otsuka Chemical Co., Ltd. (JP) 2009-11-25 EP disclosed
CN-1349507-A Pyridine-2,3-dicarboxylic acid diamides BASF AG (DE) 2002-05-15 CN disclosed
US-5994557-A Method of acylating amines using N,N'-diacylimidazolone derivatives KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1999-11-30 US disclosed
EP-0728133-A1 NOVEL THIOPHENESULFONYLUREA DERIVATIVES AND HERBICIDAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1996-08-28 EP disclosed