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Sugi Predict / Compounds / SCHEMBL2650118

SCHEMBL2650118

SCHEMBL2650118

CC(C)COc1cc(F)ccc1NC(=O)C(=O)Nc1nc(C(N)S(C)(=O)=O)c(Cl)s1.CSc1sc(NC(=O)C(=O)Nc2ccc(F)cc2OCC(C)C)nc1CNS(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 2/20 0.33
▸ MKNK2 Q9HBH9 2/20 0.31
▸ GRM4 Q14833 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
SCHEMBL2650121 0.92 GCK (0.38) GCKMKNK2
SCHEMBL1342893 0.90 MKNK2 (0.36) GCKMKNK2
SCHEMBL1343472 0.89 GCK (0.36) GCKMKNK2GRM4
SCHEMBL1342890 0.88 MYC (0.34) MKNK2GRM4
SCHEMBL1343475 0.86 GCK (0.42) GCKMKNK2
SCHEMBL1343053 0.83 MKNK2 (0.35) GCKMKNK2
SCHEMBL2652270 0.83 GCK (0.35) GCKMKNK2GRM4
SCHEMBL1343153 0.82 ALDH1A1 (0.36) GCKMKNK2GRM4
SCHEMBL1342027 0.81 MKNK2 (0.36) GCKMKNK2GRM4
SCHEMBL1342930 0.81 MYC (0.37) —

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-1531815-A1 GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-05-25 — — EP disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 — — WO disclosed