SCHEMBL13665698

SCHEMBL13665698

COCC(COC)Oc1cc(Oc2ccc(S(C)(=O)=O)cn2)cc2cc(CSN)[nH]c12

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GCK P35557 5/20 0.34
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL13665684 0.89 GCK (0.34) GCKKCNH2
SCHEMBL1076316 0.84 GCK (0.37) GCKALOX5APFEN1KCNH2
SCHEMBL13665435 0.84 GCK (0.33) GCK
SCHEMBL1076395 0.83 GCK (0.35) GCKALOX5APFEN1KCNH2
SCHEMBL1075263 0.83 GCK (0.38) GCKKCNH2
SCHEMBL1076441 0.82 GCK (0.39) GCKKCNH2
SCHEMBL4440677 0.78 GCK (0.33) GCK
SCHEMBL13665666 0.76 GCK (0.43) GCKKCNH2
SCHEMBL13665416 0.75 GCK (0.39) GCK
SCHEMBL4447141 0.74 GCK (0.33) GCKKCNH2

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
WO-2009125873-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-15 WO disclosed