SCHEMBL4917790

SCHEMBL4917790

CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2cnc(CP(=O)(O)O)cn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GCK P35557 17/20 0.58
KCNH2 Q12809 3/20 0.53

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
SCHEMBL1131949 0.90 GCK (0.55) GCKKCNH2
SCHEMBL1137299 0.89 GCK (0.54) GCKKCNH2
SCHEMBL1131943 0.89 GCK (0.54) GCKKCNH2
SCHEMBL1139953 0.89 GCK (0.54) GCKKCNH2
SCHEMBL12742382 0.86 GCK (0.64) GCKKCNH2
SCHEMBL2652932 0.85 GCK (0.57) GCKKCNH2
SCHEMBL1132497 0.84 GCK (0.56) GCKKCNH2
SCHEMBL1140181 0.84 GCK (0.52) GCKKCNH2
SCHEMBL9892933 0.84 GCK (0.62) GCKKCNH2
SCHEMBL1133430 0.83 GCK (0.57) 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
US-20080085528-A1 GLUCOKINASE ACTIVITY ASSAYS FOR MEASURING KINETIC AND ACTIVATION PARAMETERS BRISTOL-MYERS SQUIBB COMPANY 2008-04-10 US disclosed