SCHEMBL3236533

SCHEMBL3236533

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNP P00491 6/20 0.36
SLC5A2 P31639 6/20 0.35
UMPS P11172 1/20 0.33
SYNJ2 O15056 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
STAT6 P42226 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL3238083 0.85 SLC5A2 (0.41) SLC5A2MAPTCYP3A4
SCHEMBL1998514 0.80 P2RY2 (0.44)
SCHEMBL3239087 0.79 PNP (0.33) PNPSLC5A2UMPSSYNJ2KDM4E
SCHEMBL3236641 0.77 PNP (0.36) PNPSLC5A2UMPS
SCHEMBL3236631 0.77 PNP (0.36) PNPSLC5A2UMPS
SCHEMBL1996325 0.76 PNP (0.43) PNPSLC5A2SYNJ2KDM4EGMNN
SCHEMBL3231325 0.75 SLC5A2 (0.38) PNPSLC5A2KDM4E
SCHEMBL3229773 0.71 P2RY2 (0.37) SLC5A2
SCHEMBL10764781 0.69 PNP (0.44) PNPSLC5A2UMPSHIF1A
SCHEMBL16620686 0.69 SLC5A2 (0.40) PNPSLC5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745417-B2 Nucleosides or nucleotides having novel unnatural bases and use thereof RIKEN (JP) 2010-06-29 US claimed
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