SCHEMBL3884580

SCHEMBL3884580

Cc1cccc(-c2ccccc2S(=O)(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.44
CNR1 P21554 3/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NAMPT P43490 2/20 0.44
SLC9A1 P19634 1/20 0.41
MYC P01106 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
PTPN5 P54829 1/20 0.40
PDK2 Q15119 1/20 0.39
ELANE P08246 1/20 0.39
LOX P28300 1/20 0.39
MCL1 Q07820 1/20 0.39
BAZ2B Q9UIF8 1/20 0.39

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
SCHEMBL3885747 0.86 MAOB (0.42) CNR2CNR1NPC1ALDH1A1MAPT
SCHEMBL27627996 0.86 MYC (0.43) CNR2CNR1NPC1ALDH1A1MAPT
SCHEMBL8661956 0.85 SLC9A1 (0.42) CNR2CNR1NPC1ALDH1A1MAPT
SCHEMBL26605996 0.83 CNR1 (0.52) CNR1NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL5679414 0.83 NPC1 (0.44) CNR2CNR1NPC1ALDH1A1MAPT
SCHEMBL19475077 0.83 ALOX5AP (0.46) CNR2CNR1NPC1ALDH1A1MAPT
SCHEMBL8997264 0.81 MCL1 (0.47) CNR2CNR1ALDH1A1MAPTNAMPT
SCHEMBL10459345 0.81 CHRM1 (0.51) RAB9ANAMPTSLC9A1PDK2MAOB
SCHEMBL3893623 0.80 POLB (0.46) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL778996 0.79 PTPN1 (0.46) MAPTNFKB1NFKB2RELASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9608291-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2017-03-28 US disclosed
US-20150188192-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-02 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