SCHEMBL777251

SCHEMBL777251

CSSC(=O)c1cccc(C)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
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HPGD P15428 2/20 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
GRM5 P41594 1/20 0.45
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
ENPP3 O14638 1/20 0.42
ALPL P05186 1/20 0.42
XIAP P98170 1/20 0.42

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
SCHEMBL778234 0.90 PARP1 (0.61) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL775679 0.84 PARP1 (0.59) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL779316 0.82 PARP1 (0.61) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL775938 0.80 HPGD (0.51) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL5426377 0.80 PARP1 (0.59) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL775659 0.79 SMN1; SMN2 (0.51) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL12813994 0.78 PARP1 (0.57) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL5031044 0.77 KMT2A (0.47) PARP1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL778106 0.76 HPGD (0.54) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL13415413 0.76 TERT (0.54) PARP1HDAC8HDAC6SMN1; SMN2MEN1

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