SCHEMBL30973715

SCHEMBL30973715

CCN(CC)C(=O)Nc1ncnn2c([C@]3(C#N)O[C@H](COC(=O)Cc4ccccc4)[C@@H](O)[C@H]3O)ccc12

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.49
▸ MGLL Q99685 2/20 0.32
▸ IARS1 P41252 1/20 0.30
▸ EGLN2 Q96KS0 1/20 0.30
▸ MARS1 P56192 1/20 0.30

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
SCHEMBL24917230 0.89 TMPRSS2 (0.50) TMPRSS2EGLN2
SCHEMBL24917594 0.88 TMPRSS2 (0.61) TMPRSS2MGLLEGLN2
SCHEMBL24917254 0.88 TMPRSS2 (0.49) TMPRSS2EGLN2
SCHEMBL30973716 0.88 TMPRSS2 (0.41) TMPRSS2IARS1
SCHEMBL25912266 0.87 TMPRSS2 (0.49) TMPRSS2IARS1EGLN2MARS1
SCHEMBL31660950 0.87 TMPRSS2 (0.41) TMPRSS2
SCHEMBL24789770 0.87 TMPRSS2 (0.48) TMPRSS2
SCHEMBL30973789 0.86 TMPRSS2 (0.49) TMPRSS2
SCHEMBL24789427 0.86 TMPRSS2 (0.50) TMPRSS2IARS1MARS1
SCHEMBL30472930 0.86 TMPRSS2 (0.50) TMPRSS2IARS1MARS1

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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