SCHEMBL780395

SCHEMBL780395

O=S(=O)(O)c1ccc(Cc2ccc(F)cc2F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.51
HTR2C P28335 10/20 0.51
PTGS2 P35354 2/20 0.44
PTGS1 P23219 1/20 0.44
KCNH2 Q12809 6/20 0.44
DRD2 P14416 3/20 0.41
TAS2R14 Q9NYV8 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
IDO1 P14902 1/20 0.39
AGXT P21549 1/20 0.39

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
SCHEMBL778955 0.81 EGFR (0.47) HTR2AKCNH2CA12CA1CA2
SCHEMBL780161 0.80 CA1 (0.47) TAS2R14CA1CA2CA9SMN1; SMN2
SCHEMBL779009 0.80 PTGS1 (0.40) HTR2AHTR2CPTGS2PTGS1KCNH2
SCHEMBL778649 0.76 LMNA (0.42) PTGS2PTGS1CA12CA1CA2
SCHEMBL776572 0.75 CA1 (0.44) TAS2R14CA1CA2CA9
SCHEMBL19519156 0.75 KCNQ3 (0.45) HTR2AHTR2CKCNH2CA2PSEN1
SCHEMBL776845 0.74 CA1 (0.39) TAS2R14CA1CA2CA9SMN1; SMN2
SCHEMBL9619529 0.74 LMNA (0.56) CA12CA1CA2CA7CA9
SCHEMBL9440547 0.74 IDO1 (0.44) HTR2AHTR2CPTGS2PTGS1IDO1
SCHEMBL17847367 0.74 CA2 (0.43) HTR2AHTR2CPTGS2PTGS1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9343777-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-05-17 US disclosed
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed