SCHEMBL2339749

SCHEMBL2339749

COc1ccccc1COc1cccnc1Nc1nc(C)cs1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCK P35557 16/20 0.76
ALDH1A1 P00352 2/20 0.55
GAA P10253 2/20 0.55
MAPT P10636 2/20 0.55
HPGD P15428 1/20 0.55
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GRM5 P41594 2/20 0.46
ASIC3 Q9UHC3 1/20 0.45

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
SCHEMBL2342536 0.88 GCK (0.73) GCKALDH1A1GAAMAPTHPGD
SCHEMBL13439330 0.86 GCK (1.00) GCKALDH1A1GAAMAPTHPGD
SCHEMBL2342162 0.85 GCK (1.00) GCKALDH1A1GAAMAPTHPGD
Hydrochloric Acid SCHEMBL2342166 0.85 GCK (0.98) GCKALDH1A1GAAMAPTHPGD
SCHEMBL2334151 0.85 GCK (1.00) GCKGRM5
Hydrochloric Acid SCHEMBL2339960 0.84 GCK (0.98) GCKALDH1A1GAAMAPTHPGD
SCHEMBL2669231 0.83 GCK (0.82) GCKALDH1A1GAAMAPTHPGD
SCHEMBL2360810 0.82 GCK (0.66) GCKALDH1A1GAAMAPTHPGD
Hydrochloric Acid SCHEMBL2336812 0.82 GCK (0.81) GCKGAAMAPTMEN1NPC1
SCHEMBL12448005 0.81 GCK (1.00) GCKALDH1A1RAB9AGRM5

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-1948652-B1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC (US) 2011-08-24 EP disclosed