SCHEMBL776572

SCHEMBL776572

O=S(=O)(O)c1ccc(Cc2cccc(F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
TAS2R14 Q9NYV8 3/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DAO P14920 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
IDH1 O75874 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TAAR1 Q96RJ0 2/20 0.41
PTPRB P23467 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP17A1 P05093 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
NAMPT P43490 1/20 0.40

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
SCHEMBL778649 0.84 LMNA (0.42) CA1CA2CA9ALDH1A1HPGD
SCHEMBL778955 0.82 EGFR (0.47) CA1CA2CA9MEN1KMT2A
SCHEMBL6236661 0.81 PGR (0.52) CA1CA2CA9TAS2R14DAO
SCHEMBL3151100 0.80 TSHR (0.62) CA1CA2CA9IDH1ALDH1A1
SCHEMBL9619529 0.80 LMNA (0.56) CA1CA2CA9KMT2AALDH1A1
SCHEMBL11211100 0.78 MEN1 (0.51) TAS2R14MEN1KMT2AL3MBTL1HCAR2
SCHEMBL11235511 0.78 FFAR1 (0.59) CA1CA2CA9MEN1KMT2A
SCHEMBL7929350 0.78 TAAR1 (0.52) DAOALDH1A1TAAR1CYP17A1CYP3A4
Hydrochloric Acid SCHEMBL7261261 0.78 LMNA (0.54) CA1CA2CA9KMT2AALDH1A1
SCHEMBL3300303 0.78 TAAR1 (0.60) DAOHCAR2IDH1ALDH1A1TAAR1

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