SCHEMBL5801879

SCHEMBL5801879

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNPH1 O43598 8/20 0.44
P2RY1 P47900 2/20 0.44
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
PRKAB2 O43741 1/20 0.44
TRPM2 O94759 1/20 0.44
LDHA P00338 1/20 0.44
ADRB2 P07550 1/20 0.44
FBP1 P09467 1/20 0.44
SRC P12931 1/20 0.44
ADORA1 P30542 1/20 0.44
P2RY2 P41231 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PDE4D Q08499 1/20 0.44
KCNH2 Q12809 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PDE3A Q14432 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
P2RY11 Q96G91 1/20 0.44

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
SCHEMBL8440659 0.92 P2RX3 (0.49) P2RY1SRCP2RY2SMN1; SMN2P2RX1
SCHEMBL17515130 0.91 DNPH1 (0.45) DNPH1P2RY1TAS1R3TAS1R1PRKAB2
SCHEMBL3857490 0.89 DNPH1 (0.43) DNPH1P2RY1TAS1R3TAS1R1PRKAB2
SCHEMBL144526 0.86 DNPH1 (0.46) DNPH1P2RY1TAS1R3TAS1R1PRKAB2
SCHEMBL29465207 0.86 DNPH1 (0.46) DNPH1P2RY1TAS1R3TAS1R1PRKAB2
SCHEMBL8436321 0.85 P2RX3 (0.49) P2RY1SRCP2RY2SMN1; SMN2P2RX1
SCHEMBL3218602 0.84 DNPH1 (0.44) DNPH1P2RY1TAS1R3TAS1R1PRKAB2
SCHEMBL29974446 0.83 PI4KA (0.40) ADORA1SMN1; SMN2
SCHEMBL8441745 0.83 P2RX3 (0.51) P2RY1P2RY2P2RX1P2RX3P2RX4
SCHEMBL1085901 0.82 P2RX1 (0.59) P2RY1TRPM2SRCP2RY2SMN1; 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
EP-0821692-B1 IMMUNOPOTENTIATING INOSINE MONOPHOSPHATE 5'-NUCLEOTIDASE RESISTANT DERIVATIVES AND USES THEREOF UNIV SOUTH FLORIDA (US) 2006-01-11 EP claimed