SCHEMBL27934587

SCHEMBL27934587

O=[SH](=O)Cc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 13/20 0.73
MAPK14 Q16539 13/20 0.73
MAPK13 O15264 12/20 0.73
MAPK12 P53778 12/20 0.73
GCGR P47871 10/20 0.73
CSNK1A1 P48729 4/20 0.73
CSNK1D P48730 4/20 0.73
PRKD3 O94806 3/20 0.73
MAP4K4 O95819 3/20 0.73
FRK P42685 3/20 0.73
MAPK9 P45984 3/20 0.73
GSK3B P49841 3/20 0.73
PTK6 Q13882 3/20 0.73
CLK4 Q9HAZ1 2/20 0.73
PRKD2 Q9BZL6 2/20 0.73
ALOX5 P09917 14/20 0.72
ALDH1A1 P00352 4/20 0.65
RIPK2 O43353 3/20 0.65
CYP3A4 P08684 3/20 0.65
ALOX15 P16050 3/20 0.65

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
SCHEMBL27990415 1.00 MAPK11 (0.73) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL16510921 0.89 BRAF (0.75) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL2649680 0.86 MAPK11 (0.79) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL15075603 0.85 MAPK11 (1.00) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL19868925 0.85 MAPK11 (1.00) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL4553281 0.84 ALOX5 (1.00) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL9201704 0.84 MAPK13 (0.79) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL6465062 0.84 ALOX5 (1.00) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL21519839 0.83 MAPK11 (0.73) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL15987046 0.81 ALOX5 (0.74) MAPK11MAPK14MAPK13MAPK12GCGR

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
CN-103534293-A Compounds, pharmaceutical compositions and a method for the prophylaxis and treatment of the adhesion process PHARMASYNTEZ 2014-01-22 CN disclosed