SCHEMBL14943016

SCHEMBL14943016

CCCOc1ccc2sc(S(=O)(=O)NCP(=O)(O)Oc3ccc(S(C)(=O)=O)nc3)cc2c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
CLK1 P49759 1/20 0.35
CA2 P00918 3/20 0.34
SCD O00767 1/20 0.33
KAT6A Q92794 3/20 0.33
LRRK2 Q5S007 1/20 0.32
FBP1 P09467 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MTNR1A P48039 1/20 0.32
GCK P35557 1/20 0.32
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PIK3CD O00329 1/20 0.31
PIP5K1C O60331 1/20 0.31
PIK3CB P42338 1/20 0.31
PI4KA P42356 1/20 0.31
PIK3CG P48736 1/20 0.31
PI4KB Q9UBF8 1/20 0.31

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
SCHEMBL13032088 0.93 CA2 (0.35) CA2FBP1PIK3CDPIP5K1CPIK3CB
SCHEMBL14943017 0.87 CLK1 (0.34) LMNACLK1CA2SCDKAT6A
SCHEMBL13032085 0.79 CA2 (0.33) CA2
SCHEMBL14943032 0.78 TRPV4 (0.37) KAT6A
SCHEMBL14943013 0.76 AR (0.36) CLK1
SCHEMBL3483784 0.75 CA2 (0.38) CLK1CA2FBP1
SCHEMBL3483435 0.74 CA2 (0.34) CA2FBP1PIK3CDPIP5K1CPIK3CB
SCHEMBL16667354 0.74 TBXAS1 (0.31) CA2
SCHEMBL3483790 0.74 CA2 (0.38) CLK1CA2FBP1
SCHEMBL3483211 0.74 CA2 (0.38) CA2FBP1

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
US-8440643-B2 Inhibitors of beta-lactamase METHYLGENE INC. (CA) 2013-05-14 US disclosed