SCHEMBL11027698

SCHEMBL11027698

COc1ccc(C(=O)Nc2ccn([C@H]3C[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O3)c(=O)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
NT5E P21589 2/20 0.44
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44
P2RY6 Q15077 4/20 0.41
P2RY14 Q15391 2/20 0.41
TYMS P04818 1/20 0.41
P2RY2 P41231 3/20 0.37
P2RY4 P51582 3/20 0.37

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
SCHEMBL19662602 0.91 POLB (0.61) POLBNT5EABL1RIN1P2RY6
SCHEMBL21078737 0.91 POLB (0.61) POLBNT5EABL1RIN1P2RY6
SCHEMBL7034452 0.91 POLB (0.61) POLBNT5EABL1RIN1P2RY6
SCHEMBL7041781 0.87 POLB (0.62) POLBNT5EABL1RIN1P2RY6
SCHEMBL21011163 0.87 POLB (0.62) POLBNT5EABL1RIN1P2RY6
SCHEMBL10491019 0.85 POLB (0.54) POLBNT5EABL1RIN1P2RY6
SCHEMBL5358852 0.83 POLB (0.56) POLBNT5EABL1RIN1P2RY6
SCHEMBL5925303 0.83 POLB (0.56) POLBNT5EABL1RIN1P2RY6
SCHEMBL8906384 0.82 POLB (0.51) POLBNT5EABL1RIN1P2RY6
SCHEMBL20535901 0.82 POLB (0.58) POLBNT5EABL1RIN1P2RY6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0064796-B1 PHOSPHORYLATING AGENT AND PROCESS FOR THE PHOSPHORYLATION OF ORGANIC HYDROXYL COMPOUNDS UNILEVER N.V. (NL) 1985-05-15 EP disclosed
EP-0064796-A2 Phosphorylating agent and process for the phosphorylation of organic hydroxyl compounds UNILEVER N.V. (NL) 1982-11-17 EP disclosed