SCHEMBL27616367

SCHEMBL27616367

CS(=O)(=O)c1ccc([C@H](CC(=O)Nc2cnc(CO)cn2)C2CCCC2)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.52
▸ GCK P35557 13/20 0.43
▸ SLC6A3 Q01959 3/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 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
SCHEMBL27635453 0.92 KCNH2 (0.49) KCNH2GCKSLC6A3PTGS2SLC6A2
SCHEMBL27635451 0.91 KCNH2 (0.48) KCNH2GCKSLC6A3PTGS2SLC6A2
SCHEMBL27616375 0.91 KCNH2 (0.48) KCNH2GCKSLC6A3PTGS2
SCHEMBL27635456 0.91 KCNH2 (0.48) KCNH2GCK
SCHEMBL27635457 0.90 KCNH2 (0.48) KCNH2GCKSLC6A3PTGS2SLC6A2
SCHEMBL27635458 0.90 KCNH2 (0.50) KCNH2GCKSLC6A3PTGS2SLC6A2
SCHEMBL27616313 0.89 KCNH2 (0.51) KCNH2GCKSLC6A3PTGS2SLC6A2
SCHEMBL27616354 0.89 KCNH2 (0.49) KCNH2GCKSLC6A3PTGS2
SCHEMBL27635449 0.89 KCNH2 (0.47) KCNH2GCKSLC6A3PTGS2SLC6A2
SCHEMBL27635452 0.89 KCNH2 (0.51) KCNH2GCKSLC6A3PTGS2SLC6A2

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
Send feedback