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SCHEMBL30973784

SCHEMBL30973784

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

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.39
▸ PTPN1 P18031 4/20 0.31
▸ CDC25B P30305 4/20 0.31
▸ PTPN2 P17706 2/20 0.31
▸ CDC25A P30304 2/20 0.31
▸ CMA1 P23946 2/20 0.31
▸ KLK5 Q9Y337 1/20 0.31
▸ GLS O94925 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
SCHEMBL30973730 1.00 TMPRSS2 (0.39) TMPRSS2PTPN1CDC25BPTPN2CDC25A
SCHEMBL27413244 0.95 TMPRSS2 (0.37) TMPRSS2PTPN1CDC25BPTPN2CDC25A
SCHEMBL30603734 0.94 TMPRSS2 (0.40) TMPRSS2
SCHEMBL24916988 0.93 TMPRSS2 (0.39) TMPRSS2PTPN1CDC25BPTPN2CDC25A
SCHEMBL25922652 0.92 TMPRSS2 (0.39) TMPRSS2PTPN1CDC25BPTPN2CDC25A
SCHEMBL30973797 0.92 TMPRSS2 (0.36) TMPRSS2
SCHEMBL30973712 0.92 TMPRSS2 (0.36) TMPRSS2
SCHEMBL30973736 0.92 TMPRSS2 (0.38) TMPRSS2PTPN1CDC25BPTPN2CDC25A
SCHEMBL30973764 0.92 TMPRSS2 (0.38) TMPRSS2PTPN1CDC25BPTPN2CDC25A
SCHEMBL30973779 0.91 TMPRSS2 (0.38) TMPRSS2PTPN1CDC25BPTPN2CDC25A

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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