SCHEMBL30973793

SCHEMBL30973793

COC(C)(C)C(=O)Nc1ncnn2c([C@]3(C#N)O[C@H](CO)[C@@H](O)[C@H]3O)ccc12

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.66
▸ EGLN2 Q96KS0 1/20 0.35
▸ RIPK1 Q13546 1/20 0.31

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
SCHEMBL30973717 0.93 TMPRSS2 (0.63) TMPRSS2
SCHEMBL30973749 0.89 TMPRSS2 (0.59) TMPRSS2
SCHEMBL26206771 0.87 TMPRSS2 (0.65) TMPRSS2EGLN2
SCHEMBL30973767 0.85 TMPRSS2 (0.52) TMPRSS2
SCHEMBL26206741 0.85 TMPRSS2 (0.66) TMPRSS2
SCHEMBL25822121 0.85 TMPRSS2 (0.66) TMPRSS2
SCHEMBL25826883 0.84 TMPRSS2 (0.65) TMPRSS2
SCHEMBL24789761 0.84 TMPRSS2 (0.67) TMPRSS2
SCHEMBL30973747 0.83 TMPRSS2 (0.66) TMPRSS2EGLN2
SCHEMBL30973738 0.83 TMPRSS2 (0.66) TMPRSS2

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-2024129963-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. (US) 2024-06-20 — — WO disclosed
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