SCHEMBL10073334

SCHEMBL10073334

CN(C)CCCNS(=O)(=O)/C=C/c1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 3/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
HTT P42858 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
FLT3 P36888 3/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PPARG P37231 3/20 0.35
NFE2L2 Q16236 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
SCHEMBL688555 1.00 GAA (0.43) GAAHTR1AHTR1DHTR1BLMNA
SCHEMBL13343069 0.82 LMNA (0.41) GAALMNAALDH1A1DRD2DRD3
SCHEMBL688622 0.82 LMNA (0.41) GAALMNAALDH1A1DRD2DRD3
SCHEMBL10073567 0.77 LMNA (0.43) LMNAALDH1A1HTTKMT2APPARG
SCHEMBL688256 0.77 LMNA (0.43) LMNAALDH1A1HTTKMT2APPARG
SCHEMBL687300 0.77 HTR1A (0.39) HTR1AHTR1DHTR1BLMNADRD2
SCHEMBL10072501 0.76 GAA (0.44) GAALMNAALDH1A1CA12CA2
SCHEMBL687784 0.76 GAA (0.44) GAALMNAALDH1A1CA12CA2
SCHEMBL687288 0.75 CXCR2 (0.44) GAAHTR1AHTR1DHTR1BALDH1A1
SCHEMBL6456001 0.75 HTR1A (0.42) GAAHTR1AHTR1DHTR1BALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606248-B1 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE SPA (IT) 2012-02-29 EP disclosed
US-7737139-B2 Sulfonic acids, their derivatives and pharmaceutical compositions containing them DOMPE PHA.R.MA S.P.A. (IT) 2010-06-15 US disclosed