SCHEMBL27635484

SCHEMBL27635484

CS(=O)(=O)c1ccc([C@H](C[C]=O)C2CCCC2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 13/20 0.44
▸ SLC6A2 P23975 9/20 0.44
▸ SLC6A4 P31645 9/20 0.44
▸ GCK P35557 4/20 0.42
▸ KCNH2 Q12809 2/20 0.42
▸ TRPV4 Q9HBA0 1/20 0.35

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
SCHEMBL27467646 0.81 KCNH2 (0.46) SLC6A3SLC6A2SLC6A4GCKKCNH2
SCHEMBL27502236 0.81 KCNH2 (0.46) SLC6A3SLC6A2SLC6A4GCKKCNH2
SCHEMBL27616381 0.81 KCNH2 (0.45) SLC6A3SLC6A2SLC6A4GCKKCNH2
SCHEMBL27465661 0.71 KCNH2 (0.43) SLC6A3SLC6A2SLC6A4GCKKCNH2
SCHEMBL27558086 0.71 GCK (0.44) SLC6A3SLC6A2SLC6A4GCKKCNH2
SCHEMBL12917669 0.70 GCK (0.52) SLC6A3SLC6A2SLC6A4GCKKCNH2
SCHEMBL1171463 0.69 KCNH2 (0.63) GCKKCNH2
SCHEMBL1445384 0.69 KCNH2 (0.63) SLC6A3GCKKCNH2
SCHEMBL1445381 0.69 KCNH2 (0.63) SLC6A3GCKKCNH2
SCHEMBL1171465 0.69 KCNH2 (0.63) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100469770-C 5-substituted-pyrazine or -pyridine glucokinase activators HOFFMANN LA ROCHE (CH) 2009-03-18 — — CN disclosed
CN-1726197-A 5-substituted-pyrazine or -pyridine glucokinase activators HOFFMANN LA ROCHE (CH) 2006-01-25 — — CN disclosed
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