SCHEMBL2665245

SCHEMBL2665245

COCCNc1cnc(NC(=O)/C(=C/C2CCCC2)c2ccc(S(C)(=O)=O)c(Cl)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCK P35557 8/20 0.48
KCNH2 Q12809 2/20 0.41
HCAR3 P49019 1/20 0.38
ADRA1A P35348 3/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA3 P07451 3/20 0.35
CA6 P23280 3/20 0.35
CA5A P35218 3/20 0.35
CA7 P43166 3/20 0.35
CA13 Q8N1Q1 3/20 0.35
CA14 Q9ULX7 3/20 0.35
CA5B Q9Y2D0 3/20 0.35
CA4 P22748 2/20 0.35
CA9 Q16790 2/20 0.35
HPGD P15428 1/20 0.33

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
SCHEMBL2665285 0.89 GCK (0.47) GCKKCNH2
SCHEMBL2665296 0.88 GCK (0.48) GCKKCNH2
SCHEMBL2665279 0.85 GCK (0.48) GCKKCNH2
SCHEMBL2665311 0.85 GCK (0.46) GCKKCNH2
SCHEMBL2665262 0.85 GCK (0.48) GCKKCNH2
SCHEMBL2665273 0.84 GCK (0.48) GCKKCNH2
SCHEMBL2665280 0.84 GCK (0.47) GCKKCNH2
SCHEMBL2665292 0.84 GCK (0.46) GCKKCNH2ALDH1A1HPGD
SCHEMBL2665275 0.84 GCK (0.47) GCKKCNH2
SCHEMBL9072610 0.84 GCK (0.47) 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-7132425-B2 5-substituted-six-membered heteroaromatic glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2006-11-07 US disclosed