SCHEMBL2666435

SCHEMBL2666435

CO[N+](=O)c1ccc(NC(=O)c2cc(OCc3ccccc3C#N)cc(OC(C)=O)c2)nc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCK P35557 11/20 0.48
RARA P10276 2/20 0.48
RARB P10826 2/20 0.48
RARG P13631 1/20 0.48
CSNK2A2 P19784 1/20 0.41
CSNK2A1 P68400 1/20 0.41
SPHK2 Q9NRA0 2/20 0.39
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
ALKBH1 Q13686 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1794120 0.91 GCK (0.49) GCKRARARARBRARGMAPT
SCHEMBL2666433 0.81 GCK (0.49) GCKRARARARBRARGCSNK2A2
SCHEMBL14018651 0.81 GCK (0.54) GCKRARARARBRARGCSNK2A2
SCHEMBL1795449 0.81 GCK (0.48) GCKRARARARBRARGSPHK2
SCHEMBL1792248 0.80 GCK (0.54) GCKRARARARBRARGMAPT
SCHEMBL2664858 0.79 GCK (0.57) GCKRARARARBRARGCSNK2A2
SCHEMBL12615087 0.78 GCK (0.49) GCKRARARARBRARGCSNK2A2
SCHEMBL2664864 0.78 GCK (0.53) GCKRARARARBRARGCSNK2A2
SCHEMBL1793057 0.77 GCK (0.53) GCKRARARARBRARGCSNK2A2
SCHEMBL5134807 0.77 GCK (0.47) GCKRARARARBRARGMAPT

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
WO-2003015774-A1 COMPOUNDS EFFECTING GLUCOKINASE ASTRAZENECA AB (SE) 2003-02-27 WO disclosed