SCHEMBL777090

SCHEMBL777090

Cc1cccc(C(=O)S(C)(=O)(O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.55
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KCNK3 O14649 2/20 0.47
KCNK9 Q9NPC2 2/20 0.47
KCNH2 Q12809 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 2/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CHRNA1 P02708 1/20 0.44
CHRNG P07510 1/20 0.44
CHRNB1 P11230 1/20 0.44
CHRNB2 P17787 1/20 0.44
SLC6A2 P23975 1/20 0.44
CHRNB4 P30926 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
SCHEMBL779994 0.86 PARP1 (0.57) PARP1HDAC8HDAC6HPGDSMN1; SMN2
SCHEMBL776897 0.80 HPGD (0.51) PARP1HDAC8HDAC6HPGDSMN1; SMN2
SCHEMBL775480 0.80 SMN1; SMN2 (0.53) PARP1HDAC8HDAC6HPGDSMN1; SMN2
SCHEMBL548920 0.77 PARP1 (0.65) PARP1HDAC8HDAC6HPGDSMN1; SMN2
SCHEMBL778251 0.75 ALDH1A1 (0.52) HDAC6HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL29503529 0.74 PARP1 (0.68) PARP1HDAC8HDAC6HPGDSMN1; SMN2
SCHEMBL186545 0.74 PARP1 (0.68) PARP1HDAC8HDAC6HPGDSMN1; SMN2
SCHEMBL3753879 0.74 PARP1 (0.68) PARP1HDAC8HDAC6HPGDSMN1; SMN2
SCHEMBL31167604 0.74 GPR52 (0.61) PARP1HDAC8HDAC6HPGDSMN1; SMN2
SCHEMBL15264066 0.73 PARP1 (0.65) PARP1HDAC8HDAC6HPGDSMN1; 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 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