SCHEMBL3365586

SCHEMBL3365586

O[CH][C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 15/20 0.60
HIF1A Q16665 1/20 0.53
TMEM97 Q5BJF2 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
DPP4 P27487 1/20 0.51
MEN1 O00255 1/20 0.51
SLC28A1 O00337 1/20 0.51
MAP3K7 O43318 1/20 0.51
SLC28A2 O43868 1/20 0.51
GAPDH P04406 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
MAPK1 P28482 1/20 0.51
ADORA2A P29274 1/20 0.51
ADORA2B P29275 1/20 0.51
ADORA1 P30542 1/20 0.51
STAT6 P42226 1/20 0.51
PI4KA P42356 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PI4K2B Q8TCG2 1/20 0.51

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
SCHEMBL3366600 0.87 AHCY (0.79) AHCYHIF1ATMEM97SIGMAR1DPP4
SCHEMBL9616845 0.83 AHCY (0.47) AHCYHIF1ATMEM97SIGMAR1DPP4
SCHEMBL8327434 0.81 ADORA3 (0.70) AHCYHIF1ADPP4MEN1SLC28A1
SCHEMBL31236215 0.81 AHCY (0.50) AHCYHIF1ATMEM97SIGMAR1DPP4
SCHEMBL8327426 0.81 ADORA3 (0.70) AHCYHIF1ADPP4MEN1SLC28A1
SCHEMBL9155960 0.81 AHCY (0.76) AHCYHIF1ATMEM97SIGMAR1ADORA3
SCHEMBL9155975 0.81 AHCY (0.76) AHCYHIF1ATMEM97SIGMAR1ADORA3
SCHEMBL34470 0.81 ADORA1 (0.62) AHCYDPP4MEN1SLC28A1MAP3K7
SCHEMBL10365540 0.80 PRMT5 (0.58) AHCYHIF1ADPP4MEN1SLC28A1
SCHEMBL6674140 0.80 ADORA3 (0.69) AHCYHIF1ADPP4MEN1SLC28A1

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
WO-2010056795-A1 NOVEL SYNTHETIC DINUCLEOSIDE POLYPHOSPHATE ANALOGS AND THEIR USE AS NEW THERAPEUTIC AND/OR DIAGNOSTIC MODALITIES ZATA PHARMACEUTICALS, INC. (US) 2010-05-20 WO claimed
WO-2010056795-A1 NOVEL SYNTHETIC DINUCLEOSIDE POLYPHOSPHATE ANALOGS AND THEIR USE AS NEW THERAPEUTIC AND/OR DIAGNOSTIC MODALITIES ZATA PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed