SCHEMBL4080774

SCHEMBL4080774

COc1ncnc2[nH]c(C3O[C@H](CO)[C@@H](O)[C@@H]3O)nc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GMNN O75496 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
STAT6 P42226 1/20 0.45
PYGL P06737 4/20 0.42
HSPA5 P11021 1/20 0.40
HSPA8 P11142 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL8585816 0.84 HIF1A (0.42) HIF1AKDM4EGMNNLMNAMAPT
SCHEMBL6887345 0.84 KDM4E (0.45) HIF1AKDM4EGMNNLMNAMAPT
SCHEMBL8752292 0.83 HIF1A (0.52) HIF1AKDM4EGMNNLMNAMAPT
SCHEMBL4152180 0.83 HIF1A (0.52) HIF1AKDM4EGMNNLMNAMAPT
SCHEMBL4144251 0.83 HIF1A (0.52) HIF1AKDM4EGMNNLMNAMAPT
SCHEMBL9346538 0.74 KDM4E (0.46) HIF1AKDM4EGMNNLMNAMAPT
SCHEMBL9346917 0.74 KDM4E (0.46) HIF1AKDM4EGMNNLMNAMAPT
SCHEMBL9359905 0.73 KDM4E (0.54) HIF1AKDM4EGMNNLMNAMAPT
SCHEMBL3664021 0.73 KDM4E (0.54) HIF1AKDM4EGMNNLMNAMAPT
SCHEMBL11442293 0.72 KDM4E (0.47) HIF1AKDM4EGMNNLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2084175-A1 HCV NUCLEOSIDE INHIBITOR Medivir AB (SE) 2009-08-05 EP disclosed
WO-2008043704-A1 HCV NUCLEOSIDE INHIBITOR MEDIVIR AB (SE) 2008-04-17 WO disclosed
US-6300490-B1 EXPRESSION VECTOR CODING CYTOSINE DEAMINASE; FOR USE IN THE TREATMENT OF CANCERS GLAXO WELLCOME INC. 2001-10-09 US disclosed
US-5424295-A Useful in treatment of varicella-zoster virus infections BURROUGHS WELLCOME CO. (US) 1995-06-13 US disclosed