SCHEMBL22475111

SCHEMBL22475111

O=C(OC[C@@]1(F)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](CF)[C@@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC28A1 O00337 1/20 0.37
SLC28A2 O43868 1/20 0.37
SLC29A1 Q99808 1/20 0.37
SLC28A3 Q9HAS3 1/20 0.37
NT5E P21589 1/20 0.37
P2RY6 Q15077 3/20 0.36
P2RY14 Q15391 3/20 0.35
P2RY2 P41231 3/20 0.35
P2RY12 Q9H244 1/20 0.34

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
SCHEMBL20610935 0.91 SLC28A1 (0.39) POLBHSD17B10MEN1USP2KMT2A
SCHEMBL16144608 0.89 POLB (0.40) POLBHSD17B10MEN1USP2KMT2A
SCHEMBL16644423 0.89 POLB (0.40) POLBHSD17B10MEN1USP2KMT2A
SCHEMBL20611194 0.88 POLB (0.40) POLBHSD17B10MEN1USP2KMT2A
SCHEMBL23808332 0.84 SLC28A1 (0.43) POLBHSD17B10SLC28A1SLC28A2SLC29A1
SCHEMBL16108405 0.84 SLC28A1 (0.43) POLBHSD17B10SLC28A1SLC28A2SLC29A1
SCHEMBL16108403 0.84 SLC28A1 (0.43) POLBHSD17B10SLC28A1SLC28A2SLC29A1
SCHEMBL23808336 0.84 P2RY6 (0.40) POLBHSD17B10SLC28A1SLC28A2SLC29A1
SCHEMBL20611188 0.83 TDP1 (0.37) POLBHSD17B10MEN1USP2KMT2A
SCHEMBL15841051 0.80 POLB (0.43) POLBHSD17B10MEN1USP2KMT2A

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-2935303-B1 4'-FLUORO-NUCLEOSIDES, 4'-FLUORO-NUCLEOTIDES AND ANALOGS THEREOF FOR THE TREATMENT OF HCV JANSSEN BIOPHARMA INC (US) 2021-02-17 EP disclosed
EP-3160476-B1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF FOR USE IN THE TREATMENT OF VIRAL INFECTION JANSSEN BIOPHARMA INC (US) 2020-09-30 EP disclosed