SCHEMBL190931

SCHEMBL190931

CCC(C(C)=O)(C(=O)O)c1cc(Nc2nc(CCc3ccccc3)cs2)ncc1Br

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 12/20 0.42
MAOB P27338 3/20 0.39
GCK P35557 3/20 0.39
PDE5A O76074 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36

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
SCHEMBL192244 0.78 GCK (0.44) AOC3MAOBGCKPDE5APDE1A
SCHEMBL190604 0.78 GAA (0.43) AOC3MAOBGCKPDE5APDE1A
Hydrochloric Acid SCHEMBL191165 0.77 GCK (0.43) AOC3MAOBGCKPDE5APDE1A
SCHEMBL191430 0.76 LMNA (0.46)
SCHEMBL191596 0.76 GCK (0.44) AOC3MAOBGCKPDE5APDE1A
SCHEMBL190932 0.75 AOC3 (0.40) AOC3MAOBGCKPDE5AHDAC1
SCHEMBL190933 0.75 GCK (0.41) AOC3MAOBGCKHDAC1HDAC6
SCHEMBL27741187 0.75 AOC3 (0.41) AOC3MAOBGCKHDAC1HDAC6
SCHEMBL191341 0.74 MEN1 (0.43) GCK
SCHEMBL191480 0.73 GCK (0.54) AOC3GCKHDAC1HDAC6

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-1986645-B1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC (US) 2012-01-04 EP disclosed