SCHEMBL900708

SCHEMBL900708

COP(=O)(OC)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.70
P2RY1 P47900 8/20 0.63
DNPH1 O43598 4/20 0.63
P2RY2 P41231 3/20 0.63
SRC P12931 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
TRPM2 O94759 2/20 0.63
TAS1R3 Q7RTX0 2/20 0.63
TAS1R1 Q7RTX1 2/20 0.63
P2RY11 Q96G91 2/20 0.63
PRKAB2 O43741 1/20 0.63
LDHA P00338 1/20 0.63
ADRB2 P07550 1/20 0.63
FBP1 P09467 1/20 0.63
PRKAG1 P54619 1/20 0.63
PRKAA2 P54646 1/20 0.63
PDE4D Q08499 1/20 0.63
KCNH2 Q12809 1/20 0.63
PRKAA1 Q13131 1/20 0.63
PDE3A Q14432 1/20 0.63

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
SCHEMBL1526584 0.91 P2RY1 (0.68) ADORA1P2RY1DNPH1P2RY2SRC
SCHEMBL5787895 0.91 P2RY1 (0.68) ADORA1P2RY1DNPH1P2RY2SRC
SCHEMBL11647168 0.91 P2RY1 (0.68) ADORA1P2RY1DNPH1P2RY2SRC
SCHEMBL25168080 0.89 P2RY1 (0.67) ADORA1P2RY1DNPH1P2RY2SRC
SCHEMBL27742698 0.89 P2RY1 (0.67) ADORA1P2RY1DNPH1P2RY2SRC
SCHEMBL16141757 0.89 DNPH1 (0.79) ADORA1P2RY1DNPH1P2RY2SRC
SCHEMBL24145247 0.89 DNPH1 (0.79) ADORA1P2RY1DNPH1P2RY2SRC
SCHEMBL19255 0.89 DNPH1 (0.79) ADORA1P2RY1DNPH1P2RY2SRC
SCHEMBL161318 0.89 DNPH1 (0.79) ADORA1P2RY1DNPH1P2RY2SRC
SCHEMBL25168081 0.89 DNPH1 (0.79) ADORA1P2RY1DNPH1P2RY2SRC

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-2012041965-A1 PROCESS FOR PRODUCING DIALKYLPHOSPHOTRIESTERS OF NUCLEOSIDES BY ENZYMATIC TRANSESTERIFICATION AND DEPROTECTION THEREOF FOR PRODUCING NUCLEOSIDE MONOPHOSPHATES UNIVERSIDAD NACIONAL DE QUILMES (AR) 2012-04-05 WO claimed
WO-2012041965-A1 PROCESS FOR PRODUCING DIALKYLPHOSPHOTRIESTERS OF NUCLEOSIDES BY ENZYMATIC TRANSESTERIFICATION AND DEPROTECTION THEREOF FOR PRODUCING NUCLEOSIDE MONOPHOSPHATES UNIVERSIDAD NACIONAL DE QUILMES (AR) 2012-04-05 WO disclosed