SCHEMBL190933

SCHEMBL190933

CCC(C(C)=O)C(=O)Oc1cc(Nc2nc(CCc3ccccc3)cs2)ncc1Br

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCK P35557 6/20 0.41
AOC3 Q16853 9/20 0.40
MAOB P27338 3/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL191480 0.79 GCK (0.54) GCKAOC3HDAC1HDAC6
SCHEMBL191430 0.78 LMNA (0.46) NPC1RAB9ASMN1; SMN2
SCHEMBL190932 0.77 AOC3 (0.40) GCKAOC3MAOBHDAC1HDAC6
SCHEMBL27741187 0.76 AOC3 (0.41) GCKAOC3MAOBNPC1RAB9A
SCHEMBL190970 0.76 TRPV4 (0.40) GCKAOC3NPC1RAB9ASMN1; SMN2
SCHEMBL192244 0.76 GCK (0.44) GCKAOC3MAOBNPC1RAB9A
SCHEMBL191341 0.76 MEN1 (0.43) GCKNPC1RAB9ASMN1; SMN2
SCHEMBL190604 0.76 GAA (0.43) GCKAOC3MAOBNPC1RAB9A
SCHEMBL190931 0.75 AOC3 (0.42) GCKAOC3MAOBHDAC1HDAC6
Hydrochloric Acid SCHEMBL191165 0.75 GCK (0.43) GCKAOC3MAOBNPC1RAB9A

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