SCHEMBL3352914

SCHEMBL3352914

Nc1ccc2ncn(CCN3CCCC3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.51
MAPT P10636 1/20 0.51
HDAC1 Q13547 1/20 0.45
MCHR1 Q99705 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
TGFBR1 P36897 3/20 0.41
TGFBR2 P37173 1/20 0.41
MAP3K20 Q9NYL2 1/20 0.41
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
HRH1 P35367 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
LTA4H P09960 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
KDR P35968 2/20 0.39
ADRA2A P08913 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL521814 0.89 HSD17B10 (0.49) HSD17B10MAPTHDAC1TDP1TGFBR1
SCHEMBL2075907 0.88 HSD17B10 (0.68) HSD17B10MAPTHDAC1TDP1DRD2
SCHEMBL19848659 0.87 MAPT (0.45) HSD17B10MAPTMCHR1TDP1TGFBR1
SCHEMBL18731878 0.82 HDAC1 (0.47) HDAC1MCHR1TDP1TGFBR1TGFBR2
SCHEMBL17678353 0.82 TSHR (0.48) HSD17B10HDAC1MCHR1TDP1TGFBR1
SCHEMBL27835042 0.82 HDAC1 (0.45) HSD17B10HDAC1MCHR1TDP1TGFBR1
SCHEMBL24166800 0.80 TNF (0.53) HSD17B10MAPTTDP1DRD2DRD3
SCHEMBL30656804 0.80 TNF (0.53) HSD17B10MAPTTDP1DRD2DRD3
SCHEMBL3414135 0.79 HDAC1 (0.53) HSD17B10MAPTHDAC1MCHR1TDP1
SCHEMBL21025783 0.79 KDM4E (0.48) HDAC1MCHR1TDP1TGFBR1HRH3

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