SCHEMBL10180201

SCHEMBL10180201

O=S(=O)(c1cccc(C2CCCC2)c1)C(F)C(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
DRD2 P14416 5/20 0.43
KMO O15229 1/20 0.43
DRD3 P35462 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
LMNA P02545 3/20 0.37
HTT P42858 2/20 0.37
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM2B Q8NHM5 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
MCOLN2 Q8IZK6 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
MCOLN1 Q9GZU1 1/20 0.35

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
SCHEMBL10179903 0.98 KMO (0.45) HDAC4HDAC2HDAC8DRD2KMO
SCHEMBL10180023 0.82 LMNA (0.49) HDAC8LMNAHTTMAPTXBP1
SCHEMBL10181352 0.81 LMNA (0.51) LMNAHTTMAPTXBP1SMN1; SMN2
SCHEMBL10181962 0.80 HDAC4 (0.51) HDAC4HDAC2HDAC8DRD2KMO
SCHEMBL10179611 0.78 KMO (0.53) HDAC4HDAC2HDAC8DRD2KMO
SCHEMBL10181371 0.77 DRD2 (0.62) HDAC4HDAC2HDAC8DRD2KMO
SCHEMBL10181783 0.77 DRD2 (0.44) HDAC4HDAC2HDAC8DRD2KMO
SCHEMBL10181514 0.76 HDAC4 (0.49) HDAC4HDAC2HDAC8DRD2KMO
SCHEMBL10180415 0.76 DRD2 (0.43) HDAC4HDAC2HDAC8DRD2KMO
SCHEMBL11800395 0.76 KMO (0.54) HDAC4HDAC2HDAC8DRD2KMO

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