SCHEMBL8517029

SCHEMBL8517029

O=c1c(CN2CCOCC2)cnc2ccccn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.49
KDM4E B2RXH2 5/20 0.49
SLC2A1 P11166 1/20 0.49
ALDH1A1 P00352 6/20 0.47
HSD17B10 Q99714 4/20 0.47
HPGD P15428 3/20 0.47
CASP1 P29466 2/20 0.47
CASP7 P55210 2/20 0.47
CYP2A13 Q16696 4/20 0.46
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
GLA P06280 3/20 0.45
PRKDC P78527 1/20 0.44
GBA1 P04062 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ABL1 P00519 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
SCHEMBL18759814 0.79 SLC2A1 (0.51) KDM4ESLC2A1ALDH1A1HSD17B10CYP2A13
SCHEMBL14161794 0.76 MAPT (0.48) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL2228615 0.75 SMN1; SMN2 (0.48) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL12531879 0.75 ADORA3 (0.46) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL11022519 0.74 DRD3 (0.49) KDM4EALDH1A1HSD17B10HPGDDRD4
SCHEMBL14161884 0.73 MAPT (0.48) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL18837935 0.72 SLC2A1 (0.44) KDM4ESLC2A1ALDH1A1HSD17B10CYP2A13
SCHEMBL6532353 0.71 ALDH1A1 (0.43) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL14161883 0.70 MAPT (0.56) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL11193326 0.70 CYP2A13 (0.75) GAAKDM4EALDH1A1HSD17B10CYP2A13

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-0547708-B1 Saccharin derivative proteolytic enzyme inhibitors SANOFI SYNTHELABO (FR) 2003-02-26 EP disclosed