SCHEMBL2646451

SCHEMBL2646451

CS(=O)(=O)c1ccc(C(CC2CCCC2)C(N)=O)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.47
GCK P35557 10/20 0.42
EPHX1 P07099 1/20 0.35
METAP2 P50579 1/20 0.33
METAP1 P53582 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
SCHEMBL2647331 0.89 KCNH2 (0.48) KCNH2GCK
SCHEMBL2647285 0.86 KCNH2 (0.48) KCNH2GCK
SCHEMBL2650827 0.86 KCNH2 (0.62) KCNH2GCK
SCHEMBL2647926 0.86 KCNH2 (0.62) KCNH2GCK
SCHEMBL2649720 0.83 KCNH2 (0.45) KCNH2GCKEPHX1
SCHEMBL2645438 0.82 KCNH2 (0.49) KCNH2GCK
SCHEMBL2662614 0.82 KCNH2 (0.49) KCNH2GCK
SCHEMBL2646911 0.82 KCNH2 (0.44) KCNH2GCK
SCHEMBL2667236 0.80 GCK (0.57) KCNH2GCKEPHX1
SCHEMBL2661615 0.79 KCNH2 (0.43) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1169312-B1 GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-06 EP disclosed
CN-1151140-C Glucokinase activators - 2004-05-26 CN disclosed
US-6528543-B1 Glucokinase activating for treating type II diabetes; acylurea compound, phenylacetyl-substituted; 1-(2-(3-chloro-phenyl)-3cyclopentyl-propionyl)-3-methyl-urea HOFFMAN-LA ROCHE INC. 2003-03-04 US disclosed
CN-1349519-A Glucokinase activators HOFFMANN LA ROCHE (CH) 2002-05-15 CN disclosed
EP-1169312-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-09 EP disclosed
WO-2000058293-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-05 WO disclosed