SCHEMBL19662602

SCHEMBL19662602

CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)C[C@H]1O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
ABL1 P00519 1/20 0.54
RIN1 Q13671 1/20 0.54
P2RY6 Q15077 3/20 0.50
P2RY14 Q15391 2/20 0.50
NT5E P21589 2/20 0.50
P2RY2 P41231 1/20 0.38
P2RY4 P51582 1/20 0.38
DUT P33316 3/20 0.38
CYP3A4 P08684 1/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38

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
SCHEMBL21078737 1.00 POLB (0.61) POLBABL1RIN1P2RY6P2RY14
SCHEMBL7034452 1.00 POLB (0.61) POLBABL1RIN1P2RY6P2RY14
SCHEMBL22327455 0.91 POLB (0.58) POLBABL1RIN1P2RY6P2RY14
SCHEMBL20535901 0.91 POLB (0.58) POLBABL1RIN1P2RY6P2RY14
SCHEMBL11027698 0.91 POLB (0.50) POLBABL1RIN1P2RY6P2RY14
SCHEMBL25754094 0.91 POLB (0.58) POLBABL1RIN1P2RY6P2RY14
SCHEMBL19662634 0.88 POLB (0.66) POLBABL1RIN1P2RY6P2RY14
SCHEMBL18844335 0.88 POLB (0.61) POLBABL1RIN1P2RY6P2RY14
SCHEMBL31195884 0.88 POLB (0.61) POLBABL1RIN1P2RY6P2RY14
SCHEMBL13170031 0.87 POLB (0.69) POLBABL1RIN1P2RY6P2RY14

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-2017205336-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-11-30 WO disclosed