SCHEMBL901278

SCHEMBL901278

N#CCCOP(=O)(OCCC#N)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNPH1 O43598 7/20 0.57
P2RY1 P47900 6/20 0.57
P2RY2 P41231 3/20 0.57
SRC P12931 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ADORA1 P30542 2/20 0.57
TRPM2 O94759 2/20 0.57
TAS1R3 Q7RTX0 2/20 0.57
TAS1R1 Q7RTX1 2/20 0.57
P2RY11 Q96G91 2/20 0.57
PRKAB2 O43741 1/20 0.57
LDHA P00338 1/20 0.57
ADRB2 P07550 1/20 0.57
FBP1 P09467 1/20 0.57
PRKAG1 P54619 1/20 0.57
PRKAA2 P54646 1/20 0.57
PDE4D Q08499 1/20 0.57
KCNH2 Q12809 1/20 0.57
PRKAA1 Q13131 1/20 0.57
PDE3A Q14432 1/20 0.57

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
SCHEMBL900708 0.85 ADORA1 (0.70) DNPH1P2RY1P2RY2SRCSMN1; SMN2
Water SCHEMBL5786587 0.85 DNPH1 (0.77) DNPH1P2RY1P2RY2SRCSMN1; SMN2
SCHEMBL903329 0.84 P2RX3 (0.70) DNPH1P2RY1P2RY2SRCSMN1; SMN2
SCHEMBL25168080 0.84 P2RY1 (0.67) DNPH1P2RY1P2RY2SRCSMN1; SMN2
SCHEMBL27742698 0.84 P2RY1 (0.67) DNPH1P2RY1P2RY2SRCSMN1; SMN2
Water SCHEMBL23878697 0.84 ADORA1 (0.68) DNPH1P2RY1P2RY2SRCSMN1; SMN2
Water SCHEMBL11897097 0.84 ADORA1 (0.68) DNPH1P2RY1P2RY2SRCSMN1; SMN2
SCHEMBL25168081 0.83 DNPH1 (0.79) DNPH1P2RY1P2RY2SRCSMN1; SMN2
SCHEMBL24145247 0.83 DNPH1 (0.79) DNPH1P2RY1P2RY2SRCSMN1; SMN2
SCHEMBL19255 0.83 DNPH1 (0.79) DNPH1P2RY1P2RY2SRCSMN1; SMN2

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 1 patent. 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 disclosed