SCHEMBL3356723

SCHEMBL3356723

O=C(O)c1ccc2ncn(C3CCN(C4CCCC4)CC3)c2c1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.69
HSD17B10 Q99714 1/20 0.69
HPGD P15428 7/20 0.54
ALDH1A1 P00352 6/20 0.54
NPC1 O15118 2/20 0.54
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HCAR3 P49019 2/20 0.46
FGFR1 P11362 1/20 0.46
OGFRL1 Q5TC84 1/20 0.46
USP2 O75604 1/20 0.45
RAB9A P51151 1/20 0.45
MAPK1 P28482 2/20 0.44
TSHR P16473 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL30497313 0.90 GAA (0.75) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL30497269 0.87 GAA (0.70) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL3352200 0.85 GAA (0.61) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL3357708 0.83 ALDH1A1 (0.58) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL3356727 0.82 GAA (0.49) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL4288972 0.82 GAA (1.00) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL3356346 0.80 DDB1 (0.49) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL3354425 0.78 GAA (0.45) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL29784271 0.77 GAA (0.86) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL4437592 0.77 GAA (0.86) GAAHSD17B10HPGDALDH1A1NPC1

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-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed