SCHEMBL6561821

SCHEMBL6561821

CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2n[c]cs2)cc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.58
GCK P35557 16/20 0.50
FFAR2 O15552 1/20 0.38

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
SCHEMBL6562292 0.87 KCNH2 (0.63) KCNH2GCKFFAR2
SCHEMBL6563227 0.87 KCNH2 (0.49) KCNH2GCKFFAR2
SCHEMBL2646819 0.85 KCNH2 (0.79) KCNH2GCKFFAR2
SCHEMBL2657479 0.85 KCNH2 (0.79) KCNH2GCKFFAR2
SCHEMBL2646354 0.85 KCNH2 (0.79) KCNH2GCKFFAR2
SCHEMBL2646119 0.85 KCNH2 (0.78) KCNH2GCKFFAR2
SCHEMBL27482380 0.83 KCNH2 (0.57) KCNH2GCK
SCHEMBL27712717 0.83 GCK (0.71) KCNH2GCK
SCHEMBL2645001 0.82 KCNH2 (0.55) KCNH2GCK
SCHEMBL6562242 0.81 KCNH2 (0.55) KCNH2GCK

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
EP-1169312-B1 GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-06 EP claimed