SCHEMBL2646911

SCHEMBL2646911

CS(=O)(=O)c1ccc(C(CC2CCCC2)C(N)=O)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.44
THRB P10828 12/20 0.44
PPARG P37231 2/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
VCAM1 P19320 1/20 0.43
VDR P11473 1/20 0.43
THRA P10827 2/20 0.41
PAX8 Q06710 1/20 0.41
GCK P35557 1/20 0.40

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
SCHEMBL2646205 0.90 KCNH2 (0.45) KCNH2THRBPPARGPOLBMEN1
SCHEMBL2646705 0.87 THRB (0.49) KCNH2THRBPPARGPOLBMEN1
SCHEMBL2646367 0.84 KCNH2 (0.47) KCNH2THRBPPARGPOLBMEN1
SCHEMBL2662374 0.84 KCNH2 (0.47) KCNH2THRBPPARGPOLBMEN1
SCHEMBL2647032 0.82 KMT2A (0.43) POLBMEN1MAPTHTTKMT2A
SCHEMBL2646451 0.82 KCNH2 (0.47) KCNH2GCK
SCHEMBL2650827 0.82 KCNH2 (0.62) KCNH2MEN1KMT2AGCK
SCHEMBL2647926 0.82 KCNH2 (0.62) KCNH2MEN1KMT2AGCK
SCHEMBL2647093 0.79 KCNH2 (0.59) KCNH2THRBPPARGPOLBMEN1
SCHEMBL2646056 0.79 KCNH2 (0.59) KCNH2THRBPPARGPOLBMEN1

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