SCHEMBL10180533

SCHEMBL10180533

O=S(=O)(Oc1ccc(C2CCCC2)cc1)C(F)C(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
LMNA P02545 3/20 0.39
HTT P42858 1/20 0.39
THRB P10828 1/20 0.37
CASP1 P29466 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HAO1 Q9UJM8 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 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
SCHEMBL10179910 0.98 LMNA (0.41) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9609365 0.86 LMNA (0.43) DRD2DRD1DRD4DRD5DRD3
SCHEMBL10181783 0.82 DRD2 (0.44) DRD2DRD1DRD4DRD5DRD3
SCHEMBL10180415 0.81 DRD2 (0.43) DRD2DRD1DRD4DRD5DRD3
SCHEMBL107194 0.77 LMNA (0.46) DRD2DRD1DRD4DRD5DRD3
SCHEMBL3128608 0.76 DRD2 (0.61) DRD2DRD1DRD4DRD5DRD3
SCHEMBL10180023 0.76 LMNA (0.49) LMNAHTTTHRBSMN1; SMN2HDAC1
SCHEMBL10179977 0.75 ENPP3 (0.51) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9957718 0.74 DRD2 (0.60) DRD2DRD1DRD4DRD5DRD3
SCHEMBL10181352 0.74 LMNA (0.51) LMNAHTTTHRBSMN1; SMN2HAO1

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