SCHEMBL777531

SCHEMBL777531

Cc1cccc(C(=O)CS(=O)(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.52
CTNNB1 P35222 3/20 0.49
WNT3A P56704 3/20 0.49
HPGD P15428 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KCNK3 O14649 2/20 0.45
KCNK9 Q9NPC2 2/20 0.45
KCNH2 Q12809 1/20 0.45
KAT6A Q92794 1/20 0.44

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
SCHEMBL9343108 0.87 ERCC5 (0.46) PARP1HPGDTDP1RECQLSMN1; SMN2
SCHEMBL777286 0.83 CTNNB1 (0.54) PARP1CTNNB1WNT3AHPGDTDP1
SCHEMBL5907960 0.81 HPGD (0.49) PARP1CTNNB1WNT3AHPGDTDP1
SCHEMBL29062364 0.79 CTNNB1 (0.70) PARP1CTNNB1WNT3AHPGDTDP1
SCHEMBL30089541 0.79 CTNNB1 (0.70) PARP1CTNNB1WNT3AHPGDTDP1
SCHEMBL28728190 0.79 MEN1 (0.64) PARP1CTNNB1WNT3AHPGDTDP1
SCHEMBL29456641 0.79 MEN1 (0.64) PARP1CTNNB1WNT3AHPGDTDP1
SCHEMBL775763 0.77 HSD11B1 (0.61) RECQLSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL29639747 0.77 HPGD (0.59) PARP1CTNNB1WNT3AHPGDTDP1
SCHEMBL910158 0.77 HPGD (0.59) PARP1CTNNB1WNT3AHPGDTDP1

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 4 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