SCHEMBL2666433

SCHEMBL2666433

N#Cc1ccccc1COc1cc(O)cc(C(=O)Nc2ccc([N+](=O)O)cn2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCK P35557 8/20 0.49
RARA P10276 1/20 0.49
RARB P10826 1/20 0.49
RARG P13631 1/20 0.49
SPHK2 Q9NRA0 2/20 0.44
SPHK1 Q9NYA1 1/20 0.43
DEGS1 O15121 2/20 0.41
ALKBH1 Q13686 1/20 0.41
SGMS2 Q8NHU3 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2A1 P68400 1/20 0.40
FFAR1 O14842 1/20 0.39

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
SCHEMBL1795449 0.92 GCK (0.48) GCKRARARARBRARGSPHK2
SCHEMBL14018651 0.90 GCK (0.54) GCKRARARARBRARGSPHK2
SCHEMBL1792248 0.82 GCK (0.54) GCKRARARARBRARGMEN1
SCHEMBL1794120 0.82 GCK (0.49) GCKRARARARBRARGMEN1
SCHEMBL2666435 0.81 GCK (0.48) GCKRARARARBRARGSPHK2
SCHEMBL2664858 0.81 GCK (0.57) GCKRARARARBRARGSPHK2
SCHEMBL5134807 0.80 GCK (0.47) GCKRARARARBRARG
SCHEMBL2664602 0.78 GCK (0.56) GCKRARARARBRARGSPHK2
SCHEMBL2664864 0.77 GCK (0.53) GCKRARARARBRARGSPHK2
SCHEMBL2664861 0.77 GCK (0.51) GCKRARARARBRARGSPHK2

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