SCHEMBL779009

SCHEMBL779009

O=S(=O)(O)c1ccc(Cc2c(F)cc(F)cc2F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 3/20 0.38
ALDH1A1 P00352 3/20 0.38
NT5E P21589 1/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
CA2 P00918 2/20 0.34
PARP1 P09874 1/20 0.34

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 0.82 LMNA (0.42) PTGS1PTGS2LMNATSHRALDH1A1
SCHEMBL779325 0.80 LMNA (0.43) PTGS1PTGS2LMNATSHRALDH1A1
SCHEMBL780395 0.80 HTR2A (0.51) PTGS1PTGS2HTR2AHTR2CSMN1; SMN2
SCHEMBL778955 0.80 EGFR (0.47) LMNATSHRALDH1A1NT5EHTR2A
SCHEMBL9619529 0.77 LMNA (0.56) LMNATSHRALDH1A1NT5ESMN1; SMN2
Hydrochloric Acid SCHEMBL7261261 0.75 LMNA (0.54) LMNATSHRALDH1A1NT5ESMN1; SMN2
SCHEMBL776572 0.75 CA1 (0.44) ALDH1A1HPGDCA2CA1CA9
SCHEMBL780161 0.72 CA1 (0.47) LMNATSHRALDH1A1NT5ESMN1; SMN2
SCHEMBL19519156 0.71 KCNQ3 (0.45) ALDH1A1HTR2AHTR2CCA2PARP1
SCHEMBL19519247 0.70 LMNA (0.41) PTGS1PTGS2LMNATSHRALDH1A1

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