SCHEMBL778786

SCHEMBL778786

O=S(=O)(O)c1ccc(CC2CCCC(F)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
DUSP3 P51452 1/20 0.37
PTPN5 P54829 1/20 0.37
PTPN11 Q06124 1/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 3/20 0.33
ALDH1A1 P00352 2/20 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
SCHEMBL8763564 0.82 MEN1 (0.46) CA1CA2CA9CA12CA7
SCHEMBL778057 0.81 CA1 (0.43) CA1CA2CA9CA12CA7
SCHEMBL656154 0.81 KMT2A (0.44) CA1CA2CA9CA12CA7
SCHEMBL2944821 0.78 MEN1 (0.43) CA1CA2CA9CA12CA7
SCHEMBL20573232 0.73 MAOB (0.40) LMNATSHRALDH1A1NT5E
SCHEMBL780173 0.73 LMNA (0.36) MEN1KMT2ACYP2C19SMN1; SMN2LMNA
SCHEMBL21351641 0.72 MEN1 (0.36) CA1CA2CA9CA12CA7
SCHEMBL22123904 0.72 LMNA (0.47) CA1CA2CA9CA12CA7
SCHEMBL28570103 0.72 LMNA (0.38) CA1CA2CA9CA12CA7
SCHEMBL22262455 0.71 ALDH1A1 (0.35) CA1CA2CA9CA12CA7

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