SCHEMBL778954

SCHEMBL778954

Cc1ccc(S(=O)(=O)O)c(-c2ccc(F)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.42
GRM2 Q14416 1/20 0.42
PTGS1 P23219 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ACHE P22303 1/20 0.39
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.38
ABCB1 P08183 1/20 0.38

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
SCHEMBL8082279 0.91 MAOA (0.41) PTGS2PTGS1MEN1KMT2AGAA
SCHEMBL28689298 0.90 PTGS2 (0.45) PTGS2PTGS1ACHEMEN1KMT2A
SCHEMBL1117961 0.90 PTGS2 (0.42) PTGS2GRM2PTGS1MEN1KMT2A
SCHEMBL778648 0.87 MAOA (0.35) PTGS2PTGS1NPC1RAB9ALMNA
SCHEMBL4908035 0.85 MAOB (0.44) NPC1RAB9AACHELMNAGAA
SCHEMBL27454511 0.85 PTGS2 (0.51) PTGS2
SCHEMBL28728505 0.83 RAPGEF4 (0.37) PTGS2PTGS1MEN1KMT2AGAA
SCHEMBL3151094 0.83 HDAC7 (0.49) LMNAMEN1KMT2AGAA
SCHEMBL776571 0.83 MAPT (0.44) NPC1RAB9AACHELMNAMEN1
SCHEMBL5608505 0.82 TSHR (0.44) NPC1RAB9AACHELMNA

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