SCHEMBL5423738

SCHEMBL5423738

COc1ccccc1Nc1nc(-c2ccccc2)c(C(=O)NCc2ccc(-c3cccs3)cc2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.54
GAA P10253 3/20 0.53
MAPT P10636 8/20 0.46
MEN1 O00255 8/20 0.46
KMT2A Q03164 8/20 0.46
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
TP53 P04637 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RAB9A P51151 4/20 0.46
MAPK1 P28482 2/20 0.46
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL4928462 0.90 MEN1 (0.57) PTGDR2GAAMAPTMEN1KMT2A
SCHEMBL5367089 0.89 GAA (0.62) PTGDR2GAAMAPTMEN1KMT2A
SCHEMBL5486858 0.89 MAPT (0.46) PTGDR2GAAMAPTMEN1KMT2A
SCHEMBL5412970 0.87 PTGDR2 (0.62) PTGDR2GAAMAPTMEN1KMT2A
SCHEMBL5413651 0.87 PTGDR2 (0.63) PTGDR2GAAMAPTMEN1KMT2A
SCHEMBL5491127 0.85 GAA (0.56) PTGDR2GAAMAPTMEN1KMT2A
SCHEMBL14184689 0.82 MAPT (0.66) PTGDR2GAAMAPTMEN1KMT2A
SCHEMBL5421225 0.79 GAA (0.49) PTGDR2GAAMAPTMEN1KMT2A
SCHEMBL5415776 0.78 GAA (0.54) PTGDR2GAAMAPTMEN1KMT2A
SCHEMBL4923415 0.77 ALDH1A1 (0.71) PTGDR2GAAMAPTMEN1KMT2A

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-2007138110-A2 COMPOUNDS THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE KV FAMILY DEVGEN N.V. (BE) 2007-12-06 WO claimed