SCHEMBL9903102

SCHEMBL9903102

CN(C)C(=O)c1cc2c(Oc3ccc(S(C)(=O)=O)cc3)cc(C(=O)O)cc2o1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCK P35557 8/20 0.48
KCNH2 Q12809 2/20 0.48
PTGS2 P35354 3/20 0.41
SLC6A4 P31645 1/20 0.40
SCN9A Q15858 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AKR1B1 P15121 1/20 0.35
HAO1 Q9UJM8 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GFER P55789 1/20 0.34
PTGS1 P23219 1/20 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
SCHEMBL643757 0.87 GCK (0.47) GCKKCNH2PTGS2SLC6A4ALDH1A1
SCHEMBL9902287 0.83 GCK (0.42) GCKKCNH2SLC6A4ALDH1A1HPGD
SCHEMBL643724 0.81 GCK (0.64) GCKKCNH2
SCHEMBL9902848 0.81 GCK (0.49) GCKKCNH2PTGS2SLC6A4SCN9A
SCHEMBL644656 0.81 GCK (0.49) GCKKCNH2PTGS2SLC6A4HAO1
SCHEMBL643859 0.80 GCK (0.57) GCKKCNH2
SCHEMBL642898 0.80 GCK (0.56) GCKKCNH2
SCHEMBL644515 0.80 GCK (0.56) GCKKCNH2
SCHEMBL12096277 0.80 GCK (0.48) GCKKCNH2PTGS2SLC6A4HAO1
SCHEMBL645021 0.79 GCK (0.49) GCKKCNH2PTGS2ALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2463283-B1 Fused phenyl Amido heterocyclic compounds for the prevention and treatment of glucokinase-mediated diseases PFIZER PROD INC (US) 2014-06-11 EP disclosed
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