SCHEMBL10180415

SCHEMBL10180415

O=S(=O)(Oc1cccc(C2CCCCC2)c1)C(F)C(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.43
DRD3 P35462 4/20 0.43
DRD1 P21728 3/20 0.43
DRD4 P21917 3/20 0.43
DRD5 P21918 3/20 0.43
KMO O15229 1/20 0.41
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HTR2C P28335 2/20 0.38
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SPHK1 Q9NYA1 1/20 0.35
PPARG P37231 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL10181783 0.99 DRD2 (0.44) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10179910 0.83 LMNA (0.41) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10180533 0.81 DRD2 (0.40) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10180668 0.79 DRD2 (0.63) DRD2DRD3DRD1DRD4DRD5
SCHEMBL9956924 0.79 DRD2 (0.63) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10180590 0.78 ALDH1A1 (0.57) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10180410 0.77 DRD2 (0.53) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10180323 0.77 DRD2 (0.65) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10179903 0.77 KMO (0.45) DRD2DRD3KMOHDAC4HDAC2
SCHEMBL10180417 0.77 DRD2 (0.64) DRD2DRD3DRD1DRD4DRD5

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