SCHEMBL2646367

SCHEMBL2646367

CNC(=O)NC(=O)C(CC1CCCC1)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.47
THRB P10828 13/20 0.45
PPARG P37231 2/20 0.45
VDR P11473 1/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 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
GCK P35557 2/20 0.42
VCAM1 P19320 1/20 0.41
THRA P10827 2/20 0.40
PAX8 Q06710 2/20 0.39

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
SCHEMBL2662374 1.00 KCNH2 (0.47) KCNH2THRBPPARGVDRMEN1
SCHEMBL2646967 0.87 KCNH2 (0.52) KCNH2GCK
SCHEMBL2645924 0.85 KCNH2 (0.41) KCNH2MEN1LMNAMAPTHTT
SCHEMBL2662613 0.85 KCNH2 (0.41) KCNH2MEN1LMNAMAPTHTT
SCHEMBL2646205 0.85 KCNH2 (0.45) KCNH2THRBPPARGVDRMEN1
SCHEMBL2644835 0.84 KCNH2 (0.64) KCNH2MEN1LMNAKMT2AGCK
SCHEMBL2645438 0.84 KCNH2 (0.49) KCNH2GCK
SCHEMBL2662815 0.84 KCNH2 (0.64) KCNH2GCK
SCHEMBL2645957 0.84 KCNH2 (0.64) KCNH2GCK
SCHEMBL2645126 0.84 KCNH2 (0.64) KCNH2MEN1LMNAKMT2AGCK

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