SCHEMBL3239087

SCHEMBL3239087

NC(C#Cc1c[nH]c(=O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1)C(=O)C(Cl)Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 4/20 0.33
UMPS P11172 1/20 0.31
SLC5A2 P31639 5/20 0.31
SYNJ2 O15056 1/20 0.31
PYGM P11217 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
STAT6 P42226 1/20 0.31
HIF1A Q16665 1/20 0.31
SLC5A1 P13866 1/20 0.31
PYGL P06737 1/20 0.31

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
SCHEMBL3236533 0.79 PNP (0.36) PNPUMPSSLC5A2SYNJ2KDM4E
SCHEMBL3238083 0.78 SLC5A2 (0.41) SLC5A2MAPTCYP3A4PYGL
SCHEMBL1996325 0.70 PNP (0.43) PNPSLC5A2SYNJ2PYGMKDM4E
SCHEMBL3236631 0.68 PNP (0.36) PNPUMPSSLC5A2SLC5A1
SCHEMBL3236641 0.68 PNP (0.36) PNPUMPSSLC5A2SLC5A1
SCHEMBL3231325 0.67 SLC5A2 (0.38) PNPSLC5A2KDM4ESLC5A1MGAM
SCHEMBL3229773 0.66 P2RY2 (0.37) SLC5A2
SCHEMBL10226283 0.65 PNP (0.44) PNPUMPSSLC5A2PYGMKDM4E
SCHEMBL21847661 0.65 PNP (0.44) PNPUMPSSLC5A2PYGMKDM4E
SCHEMBL17329460 0.65 PNP (0.44) PNPUMPSSLC5A2PYGMKDM4E

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-1544294-B1 NUCLEOSIDES OR NUCLEOTIDES HAVING NOVEL UNNATURAL BASES AND USE THEREOF RIKEN (JP) 2013-04-10 EP disclosed
US-7745417-B2 Nucleosides or nucleotides having novel unnatural bases and use thereof RIKEN (JP) 2010-06-29 US disclosed
US-20060263771-A1 Nucleoside or nucleotides having novel unnatural bases and utilization of the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2006-11-23 US disclosed
EP-1544294-A1 NUCLEOSIDES OR NUCLEOTIDES HAVING NOVEL UNNATURAL BASES AND USE THEREOF Riken (JP) 2005-06-22 EP disclosed