SCHEMBL776796

SCHEMBL776796

O=S(O)(O)(c1ccccc1)c1ccc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
KCNN4 O15554 1/20 0.37
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
POLB P06746 2/20 0.35
EGFR P00533 1/20 0.35
NFE2L2 Q16236 1/20 0.34
HDAC1 Q13547 1/20 0.34
CA3 P07451 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32

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
SCHEMBL776755 0.85 CES2 (0.45) RAB9ANPC1HTTSMN1; SMN2ALDH1A1
SCHEMBL776052 0.78 RAB9A (0.33) RAB9ANPC1HTTSMN1; SMN2ALDH1A1
SCHEMBL776257 0.77 KCNN4 (0.38) RAB9ANPC1SMN1; SMN2KCNN4CES2
SCHEMBL779125 0.76 CES2 (0.41) RAB9ANPC1GAAKCNN4CES2
SCHEMBL778809 0.73 EGFR (0.38) RAB9ANPC1KCNN4CES2CES1
SCHEMBL778705 0.73 CES2 (0.42) HTTALDH1A1MAPTGAACES2
SCHEMBL777129 0.73 CES2 (0.38) RAB9ANPC1ALDH1A1CES2CES1
Benzene SCHEMBL28958130 0.71 TSHR (0.39) SMN1; SMN2ALDH1A1MAPTCES2CES1
SCHEMBL278265 0.71 TSHR (0.39) SMN1; SMN2ALDH1A1MAPTCES2CES1
SCHEMBL777702 0.69 PKM (0.40) RAB9AHTTSMN1; SMN2ALDH1A1MAPT

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