SCHEMBL775381

SCHEMBL775381

CCSSC(=O)c1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 3/20 0.41
MYC P01106 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KCNMA1 Q12791 1/20 0.39
HTT P42858 1/20 0.39
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38

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
SCHEMBL777209 0.85 KMT2A (0.46) KMT2AERCC5FEN1TSHRMAPK1
SCHEMBL776516 0.84 HPGD (0.48) KMT2AERCC5FEN1MAPK1HPGD
SCHEMBL776580 0.79 HPGD (0.44) KMT2AERCC5FEN1MAPK1HPGD
SCHEMBL30797844 0.76 HPGD (0.48) KMT2AERCC5FEN1TSHRMAPK1
SCHEMBL774644 0.76 HPGD (0.48) KMT2AERCC5FEN1TSHRMAPK1
SCHEMBL11620708 0.75 CES1 (0.45) KMT2ATSHRMAPK1HPGDSMN1; SMN2
SCHEMBL30451797 0.74 L3MBTL1 (0.49) KMT2AERCC5FEN1TSHRMAPK1
SCHEMBL777048 0.74 L3MBTL1 (0.49) KMT2AERCC5FEN1TSHRMAPK1
SCHEMBL778272 0.74 HPGD (0.52) KMT2AERCC5FEN1MAPK1HPGD
SCHEMBL29128767 0.73 TSHR (0.49) KMT2ATSHRHPGDSMN1; SMN2NPC1

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