SCHEMBL10179906

SCHEMBL10179906

O=S(=O)(Oc1ccc(C2CCCCC2)cc1)C(F)(F)CF

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.49
DRD1 P21728 1/20 0.49
DRD4 P21917 1/20 0.49
DRD5 P21918 1/20 0.49
DRD3 P35462 1/20 0.49
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
KCNH2 Q12809 1/20 0.40
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HAO1 Q9UJM8 1/20 0.37
STS P08842 5/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
TP53 P04637 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL10180530 0.98 DRD2 (0.50) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9957718 0.84 DRD2 (0.60) DRD2DRD1DRD4DRD5DRD3
SCHEMBL10180410 0.83 DRD2 (0.53) DRD2DRD1DRD4DRD5DRD3
SCHEMBL3128608 0.83 DRD2 (0.61) DRD2DRD1DRD4DRD5DRD3
SCHEMBL15726684 0.82 DRD2 (0.51) DRD2DRD1DRD4DRD5DRD3
SCHEMBL10181779 0.82 DRD2 (0.54) DRD2DRD1DRD4DRD5DRD3
SCHEMBL7667692 0.81 DRD2 (0.56) DRD2DRD1DRD4DRD5DRD3
SCHEMBL110631 0.80 DRD2 (0.47) DRD2DRD1DRD4DRD5DRD3
SCHEMBL18399880 0.79 DRD2 (0.49) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9957602 0.79 DRD2 (0.46) DRD2DRD1DRD4DRD5DRD3

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