SCHEMBL14217544

SCHEMBL14217544

N#Cc1ccccc1COc1cc(OCc2ccccc2Cl)cc(C(=O)Nc2ccc(NO)cn2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCK P35557 5/20 0.56
RARA P10276 1/20 0.51
RARB P10826 1/20 0.51
RARG P13631 1/20 0.51
SGMS2 Q8NHU3 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SPHK2 Q9NRA0 2/20 0.43
SPHK1 Q9NYA1 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NR4A2 P43354 1/20 0.41
ALKBH1 Q13686 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL1792656 0.88 GCK (0.57) GCKRARARARBRARGSGMS2
SCHEMBL14018651 0.86 GCK (0.54) GCKRARARARBRARGSGMS2
SCHEMBL1792248 0.85 GCK (0.54) GCKRARARARBRARGMEN1
SCHEMBL2664864 0.84 GCK (0.53) GCKRARARARBRARGSGMS2
SCHEMBL1793057 0.84 GCK (0.53) GCKRARARARBRARGSGMS2
SCHEMBL2664861 0.82 GCK (0.51) GCKRARARARBRARGSGMS2
SCHEMBL2664858 0.82 GCK (0.57) GCKRARARARBRARGSGMS2
SCHEMBL2664862 0.80 GCK (0.52) GCKRARARARBRARGSGMS2
SCHEMBL2664865 0.80 GCK (0.65) GCKRARARARBRARGMEN1
SCHEMBL2665330 0.79 GCK (0.49) GCKRARARARBRARGSGMS2

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-1661563-B1 Compound effecting Glucokinase ASTRAZENECA AB (SE) 2008-05-28 EP disclosed