SCHEMBL3354425

SCHEMBL3354425

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 6/20 0.43
TP53 P04637 1/20 0.43
FLT3 P36888 2/20 0.40
HPGD P15428 5/20 0.40
NPC1 O15118 2/20 0.40
HDAC1 Q13547 1/20 0.40
HCAR1 Q9BXC0 3/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OGFRL1 Q5TC84 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL3349367 0.89 FLT3 (0.45) GAAHSD17B10ALDH1A1TP53FLT3
SCHEMBL3356723 0.78 GAA (0.69) GAAHSD17B10ALDH1A1TP53HPGD
SCHEMBL3356727 0.75 GAA (0.49) GAAHSD17B10ALDH1A1TP53FLT3
SCHEMBL3356346 0.73 DDB1 (0.49) GAAHSD17B10ALDH1A1TP53HPGD
SCHEMBL3357708 0.72 ALDH1A1 (0.58) GAAHSD17B10ALDH1A1TP53HPGD
SCHEMBL3354719 0.72 MCHR1 (0.47) HSD17B10ALDH1A1HPGDHDAC1MAPT
SCHEMBL30497313 0.68 GAA (0.75) GAAHSD17B10ALDH1A1TP53HPGD
SCHEMBL18136684 0.67 GAA (0.50) GAAHSD17B10ALDH1A1TP53HPGD
SCHEMBL3352200 0.66 GAA (0.61) GAAHSD17B10ALDH1A1FLT3HPGD
SCHEMBL21025784 0.66 HSD17B10 (0.44) GAAHSD17B10ALDH1A1TP53HPGD

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