SCHEMBL2010322

SCHEMBL2010322

CCOC(=O)CN(Cc1cccc(COc2ccc(-c3ccc(F)cc3F)cc2)c1)C(=O)c1nc(C)c[nH]1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 11/20 0.48
MAOB P27338 2/20 0.40
PPARA Q07869 2/20 0.40
F10 P00742 1/20 0.38
PIN1 Q13526 1/20 0.37
SLC2A1 P11166 1/20 0.36
CYP2C9 P11712 1/20 0.36
PPARG P37231 1/20 0.36
KCNH2 Q12809 1/20 0.36
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2009950 0.92 GYS1 (0.53) GYS1MAOBPPARAF10CYP2C9
SCHEMBL2010321 0.82 GYS1 (0.46) GYS1MAOBPPARASLC2A1
SCHEMBL2011184 0.73 GYS1 (0.57) GYS1MAOBF10
SCHEMBL2012650 0.73 GYS1 (0.53) GYS1MAOBPPARACYP2C9PPARG
Hydrochloric Acid SCHEMBL2014675 0.73 GYS1 (0.56) GYS1MAOBF10
SCHEMBL2011587 0.72 GYS1 (0.75) GYS1MAOBPPARACYP2C9PPARG
SCHEMBL2009949 0.72 GYS1 (0.53) GYS1MAOBPPARA
SCHEMBL2012329 0.71 GYS1 (0.52) GYS1PPARASLC2A1RAB9A
SCHEMBL2037268 0.70 GYS1 (0.81) GYS1
SCHEMBL2009810 0.70 GYS1 (0.69) GYS1MAOBPPARAF10

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
WO-2011067266-A1 CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed