SCHEMBL4773615

SCHEMBL4773615

COc1ccc(S(=O)(=O)c2ccc3c(c2)C2O[C@@H]2C(C)(C)O3)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 6/20 0.50
PKM P14618 3/20 0.46
GAA P10253 1/20 0.41
CA2 P00918 2/20 0.40
RAPGEF4 Q8WZA2 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LOX P28300 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD11B1 P28845 1/20 0.35
KCNA5 P22460 1/20 0.35
HTR6 P50406 1/20 0.35
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 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
SCHEMBL482195 1.00 ABCC9 (0.50) ABCC9PKMGAACA2RAPGEF4
SCHEMBL482197 1.00 ABCC9 (0.50) ABCC9PKMGAACA2RAPGEF4
SCHEMBL3442031 0.87 ABCC9 (0.48) ABCC9SMN1; SMN2KCNA5HTR6
SCHEMBL482008 0.87 ABCC9 (0.48) ABCC9SMN1; SMN2KCNA5HTR6
SCHEMBL7820065 0.85 MAPT (0.53) PKMGAALMNATDP1
SCHEMBL481908 0.85 ABCC9 (0.52) ABCC9LMNAHTT
SCHEMBL4716582 0.85 ABCC9 (0.52) ABCC9LMNAHTT
SCHEMBL482380 0.85 ABCC9 (0.52) ABCC9LMNAHTT
SCHEMBL7821131 0.84 PGR (0.48) LMNAHTTSMN1; SMN2L3MBTL1
SCHEMBL7258457 0.83 HTR2B (0.41) GAAHTTSMN1; SMN2TDP1

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-1940516-A2 BENZOPYRAN AND PYRANOPYRIDINE DERIVATIVES AS POTASSIUM CHANNEL OPENERS Janssen Pharmaceutica, N.V. (BE) 2008-07-09 EP disclosed
WO-2007027780-A2 BENZOPYRAN AND PYRANOPYRIDINE DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 WO disclosed