SCHEMBL9857183

SCHEMBL9857183

Fc1ccc(-c2nc(C3CCC3)[nH]c2-c2ccc(F)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 5/20 0.80
MAPK12 P53778 5/20 0.80
MAPK11 Q15759 5/20 0.80
MAPK14 Q16539 5/20 0.80
MAPK9 P45984 4/20 0.80
RAF1 P04049 3/20 0.80
CSNK1A1 P48729 2/20 0.67
CSNK1D P48730 2/20 0.67
RPS6KA3 P51812 1/20 0.67
GCGR P47871 2/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
FRK P42685 1/20 0.48
GSK3B P49841 1/20 0.48
PTK6 Q13882 1/20 0.48
PRKD2 Q9BZL6 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
PTGS1 P23219 2/20 0.47
PTGS2 P35354 2/20 0.47
HTR2A P28223 1/20 0.44

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
SCHEMBL9857456 0.94 CSNK1A1 (0.75) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL19868972 0.90 MAPK14 (0.97) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL19869014 0.89 MAPK14 (1.00) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL1387706 0.87 CSNK1D (0.88) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL4587083 0.82 MAPK11 (1.00) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL4024638 0.82 MAPK11 (1.00) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL19869015 0.81 MAPK13 (0.77) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL4026830 0.81 MAPK14 (1.00) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL9517058 0.81 RAF1 (0.62) MAPK13MAPK12MAPK11MAPK14MAPK9
Hydrochloric Acid SCHEMBL4032200 0.80 MAPK14 (0.98) MAPK13MAPK12MAPK11MAPK14MAPK9

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-0436851-A1 Compounds active as inhibitors of the enzyme HMG-CoA reductase and pharmaceutical compositions containing them ZAMBON GROUP S.p.A. (IT) 1991-07-17 EP disclosed