SCHEMBL9393271

SCHEMBL9393271

Nc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)nc2nc[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.43
GDA Q9Y2T3 1/20 0.43
HIF1A Q16665 3/20 0.40
PYGL P06737 4/20 0.37
KDM4E B2RXH2 1/20 0.37
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
STAT6 P42226 1/20 0.37
KDR P35968 1/20 0.37
AURKB Q96GD4 1/20 0.37
PNP P00491 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
SCHEMBL7752119 1.00 PDPK1 (0.43) PDPK1GDAHIF1APYGLKDM4E
SCHEMBL2636634 1.00 PDPK1 (0.43) PDPK1GDAHIF1APYGLKDM4E
SCHEMBL5182602 1.00 PDPK1 (0.43) PDPK1GDAHIF1APYGLKDM4E
SCHEMBL8331267 1.00 PDPK1 (0.43) PDPK1GDAHIF1APYGLKDM4E
SCHEMBL4436406 1.00 PDPK1 (0.43) PDPK1GDAHIF1APYGLKDM4E
SCHEMBL2010793 1.00 PDPK1 (0.43) PDPK1GDAHIF1APYGLKDM4E
SCHEMBL1994118 1.00 PDPK1 (0.43) PDPK1GDAHIF1APYGLKDM4E
SCHEMBL240029 1.00 PDPK1 (0.43) PDPK1GDAHIF1APYGLKDM4E
SCHEMBL8509311 1.00 PDPK1 (0.43) PDPK1GDAHIF1APYGLKDM4E
SCHEMBL31624452 1.00 PDPK1 (0.43) PDPK1GDAHIF1APYGLKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103937797-B Compositions and methods for modulating osmolarity 弗·哈夫曼-拉罗切有限公司 2021-09-21 CN disclosed
CN-103675259-B Analysis method 阿克西斯-希尔德公司 2017-07-04 CN disclosed
WO-1994022886-A1 HETEROATOMIC OLIGONUCLEOSIDE LINKAGES ISIS PHARMACEUTICALS, INC. (US) 1994-10-13 WO disclosed