SCHEMBL4444174

SCHEMBL4444174

COCC(COC)Oc1cc(Oc2ccc(S(C)(=O)=O)nc2)cc2cc(C3=NCC(OC(C)=O)S3)[nH]c12

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GCK P35557 16/20 0.34

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
SCHEMBL1076901 0.88 GCK (0.36) GCK
SCHEMBL1074129 0.87 GCK (0.36) GCK
SCHEMBL1677334 0.87 GCK (0.33) GCK
SCHEMBL1077795 0.87 GCK (0.35) GCK
SCHEMBL4447141 0.87 GCK (0.33) GCK
SCHEMBL1077241 0.86 GCK (0.32) GCK
SCHEMBL1677221 0.85 GCK (0.34) GCK
SCHEMBL1076553 0.85 GCK (0.35) GCK
SCHEMBL1077242 0.85 GCK (0.34) GCK
SCHEMBL1677219 0.82 GCK (0.39) GCK

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