SCHEMBL4965716

SCHEMBL4965716

NC(=O)c1ccc(C2OC(CO)C(O)C2O)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UMPS P11172 1/20 0.45
SLC5A2 P31639 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
GLA P06280 1/20 0.42
EIF4E P06730 1/20 0.42
CYP3A4 P08684 1/20 0.42
TOP1 P11387 1/20 0.42
ADORA1 P30542 1/20 0.42
THPO P40225 1/20 0.42
PMP22 Q01453 1/20 0.42
PYGL P06737 4/20 0.42
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
BLM P54132 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL17479553 1.00 UMPS (0.45) UMPSSLC5A2SMN1; SMN2LMNAALDH1A1
SCHEMBL4968792 0.88 PYGL (0.51) SLC5A2PYGL
SCHEMBL6788896 0.83 MAPK1 (0.44) SLC5A2KDM4E
SCHEMBL6789670 0.83 MAPK1 (0.44) SLC5A2KDM4E
SCHEMBL6785286 0.83 MAPK1 (0.44) SLC5A2KDM4E
SCHEMBL12693897 0.80 UMPS (0.44) UMPSSLC5A2SMN1; SMN2LMNAALDH1A1
SCHEMBL12691584 0.80 UMPS (0.44) UMPSSLC5A2SMN1; SMN2LMNAALDH1A1
SCHEMBL4270606 0.80 UMPS (0.44) UMPSSLC5A2SMN1; SMN2LMNAALDH1A1
SCHEMBL6931518 0.80 UMPS (0.44) UMPSSLC5A2SMN1; SMN2LMNAALDH1A1
SCHEMBL13514156 0.80 UMPS (0.44) UMPSSLC5A2SMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957086-A2 NICOTINOYL RIBOSIDE COMPOSITIONS AND METHODS OF USE CORNELL RESEARCH FOUNDATION, INC. (US) 2008-08-20 EP disclosed
WO-2007061798-A2 NICOTINOYL RIBOSIDE COMPOSITIONS AND METHODS OF USE CORNELL RESEARCH FOUNDATION, INC. (US) 2007-05-31 WO disclosed