SCHEMBL21801447

SCHEMBL21801447

CC(=O)Oc1cccc(Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 5/20 0.46
F2 P00734 1/20 0.42
CYP3A4 P08684 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALOX12 P18054 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.39
GAA P10253 5/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 2/20 0.37
MAPT P10636 1/20 0.37
AGTR1 P30556 1/20 0.37
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL2518688 0.86 KDM4E (0.46) ALDH1A1CYP3A4KDM4ETDP1TSHR
SCHEMBL1732930 0.82 L3MBTL1 (0.45) L3MBTL1ALDH1A1F2CYP3A4KDM4E
SCHEMBL9326030 0.81 L3MBTL1 (0.52) L3MBTL1ALDH1A1F2CYP3A4KDM4E
SCHEMBL28677153 0.81 ALDH1A1 (0.46) L3MBTL1ALDH1A1F2CYP3A4TSHR
SCHEMBL9324812 0.80 NPSR1 (0.47) L3MBTL1ALDH1A1F2KDM4ETSHR
SCHEMBL4093370 0.80 L3MBTL1 (0.44) L3MBTL1ALDH1A1F2CYP3A4TSHR
SCHEMBL27756885 0.80 F2 (0.45) L3MBTL1ALDH1A1F2CYP3A4TSHR
SCHEMBL12806428 0.79 L3MBTL1 (0.47) L3MBTL1ALDH1A1F2CYP3A4KDM4E
SCHEMBL28819041 0.78 TDP1 (0.46) ALDH1A1CYP3A4KDM4ETDP1TSHR
SCHEMBL4948074 0.78 RAB9A (0.44) ALDH1A1F2CYP3A4KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119592966-A Method for synthesizing ester compounds by high-selectivity dechlorination electro-catalysis 浙江工业大学 2025-03-11 CN claimed
CN-119592966-A Method for synthesizing ester compounds by high-selectivity dechlorination electro-catalysis 浙江工业大学 2025-03-11 CN disclosed
EP-3849983-A1 TRIAZOLO-PYRIMIDINE COMPOUNDS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD (CN) 2021-07-21 EP disclosed
WO-2020052631-A1 TRIAZOLO-PYRIMIDINE COMPOUNDS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2020-03-19 WO disclosed
CN-106132958-A Pyridine 2 amides compound as CB2 agonist 豪夫迈·罗氏有限公司 2016-11-16 CN disclosed
CN-104114543-A Therapeutically active compounds and methods of use thereof AGIOS PHARMACEUTICALS INC 2014-10-22 CN disclosed
CN-102917588-B Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-10-08 CN disclosed
CN-102712625-B Nitrogen-containing heteroaryl derivatives HOFFMANN LA ROCHE 2014-04-09 CN disclosed
CN-102917588-A Chemical compounds GLAXOSMITHKLINE LLC 2013-02-06 CN disclosed
CN-102712625-A Nitrogen-containing heteroaryl derivatives HOFFMANN LA ROCHE 2012-10-03 CN disclosed
CN-101103017-A Novel aminopyridine derivatives having Aurora-A selective inhibitory action BANYU PHARMA CO LTD (JP) 2008-01-09 CN disclosed
CN-101052625-A As P2X7Adamantyl derivatives of receptor antagonists ASTRAZENECA AB (SE) 2007-10-10 CN disclosed
CN-1260227-C 5-membered ring heterocyclic compounds with nitrogen TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-06-21 CN disclosed
CN-1413207-A 5-membered ring heterocyclic compounds with nitrogen TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-04-23 CN disclosed