SCHEMBL190932

SCHEMBL190932

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 12/20 0.40
GCK P35557 3/20 0.39
PDE5A O76074 1/20 0.38
MAOB P27338 3/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 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
SCHEMBL190604 0.80 GAA (0.43) AOC3GCKPDE5AMAOBHDAC1
SCHEMBL192244 0.78 GCK (0.44) AOC3GCKPDE5AMAOBHDAC1
Hydrochloric Acid SCHEMBL191165 0.77 GCK (0.43) AOC3GCKPDE5AMAOBHDAC1
SCHEMBL190933 0.77 GCK (0.41) AOC3GCKMAOBHDAC1HDAC6
SCHEMBL191430 0.76 LMNA (0.46) GAAMAPT
SCHEMBL191596 0.76 GCK (0.44) AOC3GCKPDE5AMAOBHDAC1
SCHEMBL190931 0.75 AOC3 (0.42) AOC3GCKPDE5AMAOBHDAC1
SCHEMBL191341 0.74 MEN1 (0.43) GCKGAAMAPT
SCHEMBL191480 0.73 GCK (0.54) AOC3GCKHDAC1HDAC6
SCHEMBL27741187 0.73 AOC3 (0.41) AOC3GCKMAOBHDAC1HDAC6

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