SCHEMBL2665296

SCHEMBL2665296

COCc1cnc(NC(=O)/C(=C/C2CCCC2)c2ccc(S(C)(=O)=O)c(Cl)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCK P35557 15/20 0.48
KCNH2 Q12809 2/20 0.41
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PDE4B Q07343 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
SCHEMBL2665262 0.91 GCK (0.48) GCKKCNH2
SCHEMBL2665280 0.90 GCK (0.47) GCKKCNH2
SCHEMBL2665275 0.90 GCK (0.47) GCKKCNH2
SCHEMBL9072573 0.89 GCK (0.47) GCKKCNH2
SCHEMBL2665294 0.88 GCK (0.46) GCKKCNH2
SCHEMBL9072556 0.88 GCK (0.46) GCKKCNH2
SCHEMBL2665323 0.88 GCK (0.46) GCKKCNH2
SCHEMBL2665245 0.88 GCK (0.48) GCKKCNH2
SCHEMBL2665285 0.87 GCK (0.47) GCKKCNH2
SCHEMBL2665306 0.87 GCK (0.45) 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