SCHEMBL29137529

SCHEMBL29137529

NP(N)(=O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL9101243 0.83 CA1 (0.39) CA1CA2CA9
SCHEMBL9101251 0.79 CA1 (0.36) CA1CA2CA9
SCHEMBL13280560 0.77 CA1 (0.36) CA1CA2CA9
SCHEMBL1276695 0.74 CA1 (0.35) CA1CA2CA9
SCHEMBL3487751 0.72 INPPL1 (0.48) CA1CA2CA9
SCHEMBL8409316 0.72 CA1 (0.33) CA1CA2CA9
SCHEMBL12214118 0.72 CA1 (0.33) CA1CA2CA9
SCHEMBL8412575 0.72 CA1 (0.33) CA1CA2CA9
SCHEMBL29689914 0.70 CA1 (0.32) CA1CA2CA9
SCHEMBL1276696 0.70 CA1 (0.32) CA1CA2CA9

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
CN-111194217-B 4 '-fluoro-2' -methyl substituted nucleoside derivatives as inhibitors of HCV RNA replication 里伯赛恩斯有限责任公司 2024-01-12 CN disclosed