SCHEMBL1648245

SCHEMBL1648245

O=C=NCc1cccc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.39
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
CES2 O00748 1/20 0.35
BCHE P06276 1/20 0.35
CES1 P23141 1/20 0.35
AKR1B1 P15121 1/20 0.35
CXCR2 P25025 3/20 0.35
DPP4 P27487 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
P2RX7 Q99572 2/20 0.32
MAOB P27338 1/20 0.32
RECQL P46063 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MPO P05164 1/20 0.31
IDO1 P14902 1/20 0.31
KEAP1 Q14145 1/20 0.30

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
SCHEMBL6049 0.84 TAAR1 (0.43) TAAR1RECQLLMNAALDH1A1IDO1
SCHEMBL1647913 0.82 RIPK1 (0.37) RIPK1CES2CES1P2RX7
SCHEMBL4901882 0.81 GABRA1 (0.39) GABRA1GABRB2AKR1B1TAAR1P2RX7
SCHEMBL5573138 0.81 MIF (0.49) RIPK1GABRA1GABRB2CES2BCHE
SCHEMBL1647903 0.78 GAA (0.37) GABRA1GABRB2CES2CES1TAAR1
SCHEMBL127043 0.77 GABRA1 (0.41) GABRA1GABRB2AKR1B1TAAR1CYP3A4
SCHEMBL29364508 0.77 GABRA1 (0.41) GABRA1GABRB2AKR1B1TAAR1CYP3A4
SCHEMBL5225999 0.75 CES2 (0.40) RIPK1GABRA1GABRB2CES2BCHE
SCHEMBL3459587 0.75 GABRA1 (0.47) GABRA1GABRB2CYP3A4
SCHEMBL1493002 0.75 GABRA1 (0.42) GABRA1GABRB2CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190054-B1 NONAQUEOUS ELECTROLYTE SOLUTION FOR SECONDARY BATTERY AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEM CORP (JP) 2016-10-26 EP disclosed
US-20140127590-A1 NONAQUEOUS ELECTROLYTIC SOLUTION FOR SECONDARY BATTERY AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2014-05-08 US disclosed
US-20110091768-A1 NONAQUEOUS ELECTROLYTIC SOLUTION FOR SECONDARY BATTERY AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2011-04-21 US disclosed
EP-2190054-A1 NONAQUEOUS ELECTROLYTE SOLUTION FOR SECONDARY BATTERY AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2010-05-26 EP disclosed