SCHEMBL13822849

SCHEMBL13822849

Cc1csc(Nc2ccc(Oc3ccccc3)cn2)n1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCK P35557 13/20 0.57
GAA P10253 3/20 0.52
RAB9A P51151 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
TRPV4 Q9HBA0 1/20 0.47
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
SLC2A1 P11166 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
GRM5 P41594 1/20 0.44

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
SCHEMBL13822848 0.84 RAB9A (0.45) GCKGAARAB9AKMT2AMEN1
SCHEMBL2669505 0.81 MAPT (0.43) GCKGAARAB9AKMT2AMEN1
SCHEMBL190659 0.81 GCK (0.59) GCKGAARAB9AKMT2AMEN1
SCHEMBL3040689 0.78 GAA (0.52) GCKGAARAB9ANPC1ALDH1A1
SCHEMBL2657937 0.77 MAPT (0.53) GCKGAARAB9AKMT2AMEN1
SCHEMBL14742770 0.77 RAB9A (0.65) GCKGAARAB9AKMT2AMEN1
SCHEMBL190118 0.77 GCK (0.55) GCKGAARAB9AKMT2ANPC1
SCHEMBL2658280 0.77 SCN9A (0.47) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL2668080 0.77 GCK (0.56) GCKGAARAB9AKMT2A
SCHEMBL190773 0.77 GCK (0.56) GCKGAARAB9AKMT2AALDH1A1

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-2195312-B1 PYRIDINE DERIVATIVES USEFUL AS GLUCOKINASE ACTIVATORS MERCK PATENT GMBH (DE) 2012-11-21 EP claimed