SCHEMBL4358224

SCHEMBL4358224

NNC(=O)c1cn(C2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)cn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATIC P31939 3/20 0.55
FBP1 P09467 3/20 0.55
TAS1R3 Q7RTX0 5/20 0.51
TAS1R1 Q7RTX1 5/20 0.51
LDHA P00338 2/20 0.51
DNPH1 O43598 1/20 0.51
PRKAB2 O43741 1/20 0.51
TRPM2 O94759 1/20 0.51
ADRB2 P07550 1/20 0.51
SRC P12931 1/20 0.51
ADORA1 P30542 1/20 0.51
P2RY2 P41231 1/20 0.51
P2RY1 P47900 1/20 0.51
PRKAG1 P54619 1/20 0.51
PRKAA2 P54646 1/20 0.51
PDE4D Q08499 1/20 0.51
KCNH2 Q12809 1/20 0.51
PRKAA1 Q13131 1/20 0.51
PDE3A Q14432 1/20 0.51
SMN1; SMN2 Q16637 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
SCHEMBL24024486 0.90 ATIC (0.62) ATICFBP1TAS1R3TAS1R1LDHA
SCHEMBL29687021 0.90 ATIC (0.62) ATICFBP1TAS1R3TAS1R1LDHA
SCHEMBL2510742 0.88 FBP1 (0.54) ATICFBP1TAS1R3TAS1R1LDHA
SCHEMBL15916868 0.83 LMNA (0.49) ADORA1SMN1; SMN2
SCHEMBL17886831 0.80 FBP1 (0.53) ATICFBP1TAS1R3TAS1R1LDHA
SCHEMBL17270349 0.74 ATIC (0.41) ATICFBP1ADORA1SMN1; SMN2
SCHEMBL21312669 0.73 FBP1 (0.43) ATICFBP1TAS1R3TAS1R1LDHA
SCHEMBL20129884 0.72 ATIC (0.82) ATICFBP1TAS1R3TAS1R1LDHA
Ribavirin Monophosphate SCHEMBL11202379 0.72 LMNA (0.69) ATICFBP1TAS1R3TAS1R1LDHA
Ribavirin Monophosphate SCHEMBL10882076 0.72 LMNA (0.69) ATICFBP1TAS1R3TAS1R1LDHA

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
US-20090186358-A1 Pathway Analysis of Cell Culture Phenotypes and Uses Thereof WYETH (US) 2009-07-23 US disclosed