SCHEMBL3352200

SCHEMBL3352200

CN1CCC(n2cnc3ccc(C(=O)O)cc32)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
HSD17B10 Q99714 1/20 0.61
KDM2B Q8NHM5 2/20 0.52
FLT3 P36888 4/20 0.49
FGFR1 P11362 1/20 0.48
HPGD P15428 4/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 2/20 0.47
HCAR3 P49019 1/20 0.45
DRD2 P14416 1/20 0.44
SLC6A4 P31645 1/20 0.44
TNKS O95271 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CHRNA7 P36544 1/20 0.43
USP2 O75604 1/20 0.42

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
SCHEMBL30497269 0.89 GAA (0.70) GAAHSD17B10FLT3FGFR1HPGD
SCHEMBL4293328 0.89 FLT3 (0.48) GAAHSD17B10FLT3FGFR1HPGD
SCHEMBL30497313 0.87 GAA (0.75) GAAHSD17B10FGFR1HPGDALDH1A1
SCHEMBL3356723 0.85 GAA (0.69) GAAHSD17B10FGFR1HPGDALDH1A1
SCHEMBL3352559 0.83 ALDH1A1 (0.53) GAAHSD17B10FLT3HPGDALDH1A1
SCHEMBL14852148 0.83 FLT3 (0.45) GAAHSD17B10FLT3HPGDALDH1A1
SCHEMBL4282464 0.82 CHEK2 (0.44) GAAHSD17B10FLT3FGFR1HPGD
SCHEMBL3352205 0.81 PRMT5 (0.44) GAAHSD17B10FLT3ALDH1A1DRD2
SCHEMBL15344990 0.80 DRD2 (0.49) FLT3ALDH1A1NPC1DRD2SLC6A4
SCHEMBL22862454 0.80 GAA (0.53) GAAHSD17B10FLT3FGFR1HPGD

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