SCHEMBL4441982

SCHEMBL4441982

O=[C]c1ccc(C2CCS(=O)(=O)c3ccccc32)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.33
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 3/20 0.32

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
SCHEMBL4053425 0.78 HAO1 (0.39)
SCHEMBL6462707 0.77 L3MBTL1 (0.37) ADRA1DSLC6A2SLC6A4SLC6A3
SCHEMBL30804967 0.73 IGF1R (0.36)
SCHEMBL6479522 0.69 PIK3CA (0.37) SLC6A2SLC6A4SLC6A3
SCHEMBL24090474 0.67 ADRA1D (0.38) ADRA1DSLC6A2SLC6A4
SCHEMBL2906600 0.67 CA2 (0.41) ADRA1DSLC6A2SLC6A4SLC6A3
SCHEMBL28531504 0.67 PTGDR2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL13499160 0.67 CA2 (0.41) ADRA1DSLC6A2SLC6A4SLC6A3
SCHEMBL12900511 0.67 ADRA1D (0.38) ADRA1DSLC6A2SLC6A4
SCHEMBL12651546 0.67 ADRA1D (0.38) ADRA1DSLC6A2SLC6A4

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-1397137-B1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2009-10-14 EP disclosed