SCHEMBL27748629

SCHEMBL27748629

CP(=O)(O)Oc1ccccc1CN

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
INPPL1 O15357 1/20 0.36
INPP5B P32019 1/20 0.36
INPP5A Q14642 1/20 0.36
SRC P12931 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
PDE3A Q14432 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DPP4 P27487 1/20 0.35
POLB P06746 2/20 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
SCHEMBL28822355 0.85 PNMT (0.42) PNMTSMN1; SMN2LMNATAAR1HTT
SCHEMBL778837 0.85 SMN1; SMN2 (0.49) SMN1; SMN2CYP2C19HTTL3MBTL1INPPL1
SCHEMBL27650151 0.85 INPPL1 (0.52) PNMTSMN1; SMN2LMNAINPPL1INPP5B
Phosphoric Acid SCHEMBL28106182 0.84 INPPL1 (0.50) PNMTSMN1; SMN2LMNAINPPL1INPP5B
SCHEMBL27770071 0.83 PNMT (0.37) PNMTSMN1; SMN2LMNATAAR1HTT
SCHEMBL11447145 0.82 SMN1; SMN2 (0.39) SMN1; SMN2CYP2C19LMNAHTTL3MBTL1
SCHEMBL27769863 0.79 CA2 (0.45) PNMTSMN1; SMN2LMNAHTTL3MBTL1
SCHEMBL779407 0.78 KDM4E (0.46) LMNAL3MBTL1ALDH1A1GAAKDM4E
SCHEMBL27769274 0.78 PNMT (0.47) PNMTSMN1; SMN2LMNATAAR1HTT
SCHEMBL27881642 0.76 CA1 (0.40) PNMTL3MBTL1ALDH1A1GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102832408-B Electrolyte with high flame retardation performance and electrochemical performance and lithium ion battery GAUNGZHOU TINCI MATERIALS TECHNOLOGY CO LTD 2015-04-08 CN claimed
CN-102832408-A Electrolyte with high flame retardation performance and electrochemical performance and lithium ion battery GAUNGZHOU TINCI MATERIALS TECHNOLOGY CO LTD 2012-12-19 CN claimed
CN-103259044-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEMICAL CORP. (JP) 2016-02-10 CN disclosed
CN-104926871-A O,O-dialkyl-alpha-[3-bromo-1-(3-chloro-2-pyridyl)-1H-pyrazole-5-formyl]alkyl methylphosphonate derivative as well as preparation method and application thereof XIAN MODERN CHEMISTRY RES INST 2015-09-23 CN disclosed
CN-102832408-B Electrolyte with high flame retardation performance and electrochemical performance and lithium ion battery GAUNGZHOU TINCI MATERIALS TECHNOLOGY CO LTD 2015-04-08 CN disclosed
CN-102097654-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEMICAL CORP. (JP) 2014-10-01 CN disclosed
CN-103259044-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP 2013-08-21 CN disclosed
CN-102832408-A Electrolyte with high flame retardation performance and electrochemical performance and lithium ion battery GAUNGZHOU TINCI MATERIALS TECHNOLOGY CO LTD 2012-12-19 CN disclosed
CN-101432923-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP 2012-04-18 CN disclosed
CN-102097654-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP 2011-06-15 CN disclosed
CN-101432923-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP (JP) 2009-05-13 CN disclosed