SCHEMBL9295626

SCHEMBL9295626

NCC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(O)C1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 2/20 0.71
P2RY1 P47900 4/20 0.70
ADORA1 P30542 3/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
P2RY2 P41231 3/20 0.70
SRC P12931 2/20 0.70
DNPH1 O43598 1/20 0.70
PRKAB2 O43741 1/20 0.70
TRPM2 O94759 1/20 0.70
LDHA P00338 1/20 0.70
ADRB2 P07550 1/20 0.70
FBP1 P09467 1/20 0.70
PRKAG1 P54619 1/20 0.70
PRKAA2 P54646 1/20 0.70
PDE4D Q08499 1/20 0.70
KCNH2 Q12809 1/20 0.70
PRKAA1 Q13131 1/20 0.70
PDE3A Q14432 1/20 0.70
TAS1R3 Q7RTX0 1/20 0.70
TAS1R1 Q7RTX1 1/20 0.70

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
SCHEMBL9295615 1.00 AHCY (0.71) AHCYP2RY1ADORA1SMN1; SMN2P2RY2
SCHEMBL11519682 0.91 P2RY1 (0.68) AHCYP2RY1ADORA1SMN1; SMN2P2RY2
SCHEMBL30637132 0.91 P2RY1 (0.68) AHCYP2RY1ADORA1SMN1; SMN2P2RY2
SCHEMBL10586180 0.91 P2RY1 (0.68) AHCYP2RY1ADORA1SMN1; SMN2P2RY2
SCHEMBL18048495 0.90 AHCY (0.57) AHCYP2RY1ADORA1SMN1; SMN2P2RY2
SCHEMBL1757017 0.89 ADORA1 (0.73) P2RY1ADORA1SMN1; SMN2P2RY2SRC
SCHEMBL9426538 0.89 PRKACA (0.73) AHCYP2RY1ADORA1SMN1; SMN2P2RY2
SCHEMBL19859780 0.89 ADORA1 (0.73) P2RY1ADORA1SMN1; SMN2P2RY2SRC
SCHEMBL2463542 0.89 PRKACA (0.73) AHCYP2RY1ADORA1SMN1; SMN2P2RY2
SCHEMBL6536155 0.89 PRKACA (0.67) AHCYP2RY1ADORA1SMN1; SMN2P2RY2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0565646-A4 1994-08-03 EP disclosed
EP-0565646-A1 NUCLEOSIDES AND OLIGONUCLEOSIDES WITH A PHOSPHATE-FREE INTERNUCLEOSIDE BACKBONE AND PROCESS FOR PREPARING THE SAME BAYLOR COLLEGE OF MEDICINE (US) 1993-10-20 EP disclosed
US-5175266-A Oxidizing hydroxymethyl function of azidodeoxynucleosides to acid in presence of ruthenium tetroxide TRIPLEX PHARMACEUTICAL CORPORATION (US) 1992-12-29 US disclosed
WO-1992018518-A1 NUCLEOSIDES AND OLIGONUCLEOSIDES WITH A PHOSPHATE-FREE INTERNUCLEOSIDE BACKBONE AND PROCESS FOR PREPARING THE SAME BAYLOR COLLEGE OF MEDICINE (US) 1992-10-29 WO disclosed