SCHEMBL13615885

SCHEMBL13615885

CO[C@H]1[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@@](CO)(C(C)C)[C@H]1O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 8/20 0.49
P2RY14 Q15391 2/20 0.49
NT5E P21589 1/20 0.49
ABL1 P00519 1/20 0.49
RIN1 Q13671 1/20 0.49
POLB P06746 1/20 0.47
P2RY2 P41231 5/20 0.37
P2RY4 P51582 5/20 0.37
ST6GAL1 P15907 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL13615887 0.85 P2RY6 (0.43) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL13615610 0.85 ABL1 (0.38) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL15691436 0.80 P2RY6 (0.61) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL19841274 0.79 P2RY6 (0.60) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL6930835 0.79 P2RY6 (0.60) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL6930829 0.79 P2RY6 (0.60) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL16904896 0.78 P2RY6 (0.61) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL14429055 0.78 P2RY6 (0.61) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL14440571 0.78 P2RY6 (0.61) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL10072488 0.77 POLB (0.43) P2RY6P2RY14NT5EABL1RIN1

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-2009143369-A2 METHOD OF PREPARING NUCLEOSIDES AND ANALOGS THEREOF WITHOUT USING CHROMATOGRAPHY ISIS PHARMACEUTICALS, INC. (US) 2009-11-26 WO disclosed