SCHEMBL1648243

SCHEMBL1648243

O=C=NCc1cc(F)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
RIPK1 Q13546 2/20 0.40
DPP4 P27487 4/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
MIF P14174 2/20 0.33
MMP2 P08253 2/20 0.33
MMP12 P39900 2/20 0.33
MMP1 P03956 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
SCHEMBL1647830 0.85 IDO1 (0.44) RIPK1CES2CES1MIFIDO1
SCHEMBL31397806 0.83 HTT (0.36) PKMSMN1; SMN2
SCHEMBL3923111 0.83 SLC6A4 (0.35) RIPK1MIFKMT2A
SCHEMBL7466318 0.79 IDO1 (0.49) CA9MIFIDO1KMT2A
SCHEMBL1649587 0.78 DPP4 (0.34) DPP4
SCHEMBL1647335 0.77 RIPK1 (0.41) RIPK1DPP4CES2CES1DPP8
SCHEMBL1946072 0.76 ALDH1A1 (0.49) KMT2A
SCHEMBL6049 0.76 TAAR1 (0.43) IDO1KMT2A
SCHEMBL18979138 0.75 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1647913 0.74 RIPK1 (0.37) RIPK1CES2CES1

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