SCHEMBL9923482

SCHEMBL9923482

COc1cc(C(=O)Nc2ccn(C)n2)cc(Oc2ccc(S(=O)(=O)N(C)C)cc2)c1CC(C)C

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCK P35557 17/20 0.50
KCNH2 Q12809 3/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
HPGDS O60760 1/20 0.42

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
SCHEMBL9989556 0.79 GCK (0.76) GCK
SCHEMBL3605878 0.79 GCK (0.77) GCKKCNH2
SCHEMBL2905572 0.79 GCK (0.77) GCKKCNH2
SCHEMBL4781350 0.78 GCK (0.69) GCKKCNH2
SCHEMBL1146462 0.78 GCK (0.69) GCKKCNH2
SCHEMBL1146464 0.77 GCK (0.60) GCKKCNH2
SCHEMBL644281 0.75 GCK (0.64) GCK
SCHEMBL1146922 0.73 GCK (0.58) GCKKCNH2
SCHEMBL1146923 0.72 GCK (0.49) GCKKCNH2
SCHEMBL12101432 0.72 GCK (0.47) GCKKCNH2ALDH1A1TSHR

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-2463283-A1 Fused phenyl Amido heterocyclic compounds for the prevention and treatment of glucokinase-mediated diseases Pfizer Products Inc. (US) 2012-06-13 EP disclosed