SCHEMBL16004375

SCHEMBL16004375

CCCn1c(=O)n(CCC#N)c(=O)n(CCC#N)c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.58
PDE4A P27815 6/20 0.56
PDE4B Q07343 6/20 0.56
PDE4C Q08493 6/20 0.56
PDE4D Q08499 6/20 0.56
ADORA2A P29274 4/20 0.43
ADORA2B P29275 4/20 0.43
KDM4E B2RXH2 2/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 1/20 0.39
TSHR P16473 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CTSK P43235 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 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
SCHEMBL190388 0.89 NPSR1 (0.69) NPSR1PDE4APDE4BPDE4CPDE4D
SCHEMBL331903 0.81 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL21986055 0.78 NPSR1 (0.58) NPSR1PDE4APDE4BPDE4CPDE4D
SCHEMBL16004435 0.75 NPSR1 (0.53) NPSR1PDE4APDE4BPDE4CPDE4D
SCHEMBL191729 0.74 NPSR1 (0.58) NPSR1PDE4APDE4BPDE4CPDE4D
SCHEMBL23020227 0.74 GSK3A (0.50) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL21974369 0.74 GSK3A (0.50) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL21037232 0.74 PDE4A (0.43) NPSR1PDE4APDE4BPDE4CPDE4D
SCHEMBL13108310 0.74 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL15405397 0.74 NPSR1 (1.00) NPSR1PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240128511-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2024-04-18 US disclosed
US-11942601-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEMICAL CORPORATION (JP) 2024-03-26 US disclosed
US-11424482-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEMICAL CORPORATION (JP) 2022-08-23 US disclosed
US-11424482-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEMICAL CORPORATION (JP) 2022-08-23 US disclosed
US-20190334208-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2019-10-31 US disclosed
US-20190334208-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2019-10-31 US disclosed
US-20150364794-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2015-12-17 US disclosed
US-20150364794-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2015-12-17 US disclosed
WO-2014133107-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME 三菱化学株式会社 (JP) 2014-09-04 WO disclosed