SCHEMBL778649

SCHEMBL778649

O=S(=O)(O)c1ccc(Cc2cc(F)cc(F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
NT5E P21589 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
USP2 O75604 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
NTRK1 P04629 2/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP14 P50281 1/20 0.36
ADAM17 P78536 1/20 0.36
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA9 Q16790 4/20 0.36
CA14 Q9ULX7 3/20 0.36
KDM4E B2RXH2 1/20 0.36

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 0.86 EGFR (0.47) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL776572 0.84 CA1 (0.44) ALDH1A1CA1CA2CA9HPGD
SCHEMBL9619529 0.84 LMNA (0.56) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL779009 0.82 PTGS1 (0.40) LMNAALDH1A1TSHRNT5ESMN1; SMN2
Hydrochloric Acid SCHEMBL7261261 0.82 LMNA (0.54) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL3151100 0.76 TSHR (0.62) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL780395 0.76 HTR2A (0.51) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL779325 0.76 LMNA (0.43) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL9870772 0.75 HTT (0.49) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL6134088 0.75 CYP2C9 (0.50) LMNAALDH1A1TSHRNT5ESMN1; SMN2

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