SCHEMBL19789698

SCHEMBL19789698

CCC1CS(=O)(=O)c2ccc(F)cc2C(c2cccc([N+](=O)[O-])c2)C1O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 9/20 0.44
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
CACNA1C Q13936 2/20 0.35
CACNA1F O60840 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNA1S Q13698 1/20 0.35
LMNA P02545 1/20 0.34
SLC9A1 P19634 1/20 0.34
GUSB P08236 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
SCHEMBL13620064 1.00 SLC10A2 (0.44) SLC10A2NPSR1ALDH1A1PKMCACNA1C
SCHEMBL19789811 0.84 SLC10A2 (0.46) SLC10A2
SCHEMBL13620066 0.84 SLC10A2 (0.46) SLC10A2
SCHEMBL19789694 0.82 ADRA1D (0.38) SLC10A2
SCHEMBL348852 0.79 SLC10A2 (0.62) SLC10A2
SCHEMBL12196580 0.77 SLC10A2 (0.64) SLC10A2
SCHEMBL12196417 0.77 SLC10A2 (0.64) SLC10A2
SCHEMBL12196419 0.77 SLC10A2 (0.64) SLC10A2
SCHEMBL12196415 0.77 SLC10A2 (0.64) SLC10A2
SCHEMBL12196421 0.77 SLC10A2 (0.64) SLC10A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2282991-B1 METHOD FOR THE PRODUCTION OF 1,4-BENZOTHIEPIN-1,1-DIOXIDE DERIVATIVES SANOFI AVENTIS DEUTSCHLAND (DE) 2018-01-24 EP disclosed