SCHEMBL3356346

SCHEMBL3356346

Nc1ccc2ncn(C3CCN(C4CCCC4)CC3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.49
CRBN Q96SW2 2/20 0.49
IKZF3 Q9UKT9 2/20 0.49
GAA P10253 3/20 0.44
HSD17B10 Q99714 1/20 0.44
HCAR1 Q9BXC0 5/20 0.44
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
OPRM1 P35372 2/20 0.41
OPRL1 P41146 1/20 0.41
NPC1 O15118 1/20 0.41
DRD2 P14416 1/20 0.40
SLC6A4 P31645 1/20 0.40
ATM Q13315 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OGFRL1 Q5TC84 1/20 0.40
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 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
SCHEMBL7025961 0.92 DDB1 (0.56) DDB1CRBNIKZF3GAAHSD17B10
SCHEMBL29190582 0.85 DDB1 (0.58) DDB1CRBNIKZF3GAAHSD17B10
SCHEMBL3353454 0.83 DDB1 (0.51) DDB1CRBNIKZF3GAAHSD17B10
SCHEMBL7033862 0.81 GAA (0.58) DDB1CRBNIKZF3GAAHSD17B10
SCHEMBL3356723 0.80 GAA (0.69) GAAHSD17B10ALDH1A1HPGDNPC1
SCHEMBL1870574 0.79 DDB1 (0.50) DDB1CRBNIKZF3GAAHSD17B10
SCHEMBL1868695 0.79 DDB1 (0.55) DDB1CRBNIKZF3HCAR1ALDH1A1
SCHEMBL15531907 0.78 GAA (0.55) DDB1CRBNIKZF3GAAHSD17B10
SCHEMBL3356727 0.77 GAA (0.49) GAAHSD17B10ALDH1A1HPGDNPC1
SCHEMBL3355563 0.75 OPRM1 (0.47) ALDH1A1OPRM1OPRL1DRD2SLC6A4

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