SCHEMBL10180546

SCHEMBL10180546

C=CS(=O)(=O)c1cccc(CCC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.44
METAP2 P50579 1/20 0.42
HTR6 P50406 4/20 0.41
CA2 P00918 1/20 0.40
CNR2 P34972 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TNF P01375 1/20 0.37
NOD1 Q9Y239 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
XBP1 P17861 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
MDM2 Q00987 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL10181362 0.90 METAP2 (0.44) METAP2HTR6CA2CNR2SMN1; SMN2
SCHEMBL10181530 0.86 LOXL2 (0.43) KAT6AMETAP2HTR6CA2NPC1
SCHEMBL331257 0.81 KAT6A (0.50) KAT6AMETAP2HTR6CA2CNR2
SCHEMBL31319048 0.81 KAT6A (0.50) KAT6AMETAP2HTR6CA2CNR2
SCHEMBL10179603 0.81 KAT6A (0.42) KAT6AMETAP2HTR6CA2CNR2
SCHEMBL27876496 0.80 HTR6 (0.61) KAT6AMETAP2HTR6CA2CNR2
SCHEMBL28032990 0.79 KAT6A (0.49) KAT6AMETAP2HTR6CA2CNR2
SCHEMBL10822047 0.79 HTR6 (0.47) HTR6CA2NPC1RAB9ATNF
SCHEMBL10180637 0.79 CA2 (0.58) CA2CNR2NPC1RAB9AALDH1A1
SCHEMBL10180981 0.79 PSIP1 (0.52) KAT6AMETAP2HTR6CA2CNR2

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-20130244122-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME ONUKI MASAMICHI (JP) 2013-09-19 US disclosed
US-20120219866-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
EP-2475041-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME Mitsubishi Chemical Corporation (JP) 2012-07-11 EP disclosed