SCHEMBL30091016

SCHEMBL30091016

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncnn2c([C@]3(C#N)O[C@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@@H](OC(=O)Cc4ccccc4)[C@H]3O)ccc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.37
▸ GLS O94925 1/20 0.33
▸ CTSS P25774 5/20 0.32
▸ CTSK P43235 3/20 0.32
▸ CTSL P07711 1/20 0.32
▸ CTSB P07858 1/20 0.32
▸ PTPN1 P18031 4/20 0.31
▸ CDC25B P30305 4/20 0.31
▸ PTPN2 P17706 2/20 0.31
▸ CDC25A P30304 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ATM Q13315 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
SCHEMBL30090999 0.94 TMPRSS2 (0.39) TMPRSS2GLSCTSSCTSKCTSL
SCHEMBL30090946 0.91 TMPRSS2 (0.35) TMPRSS2CTSSCTSKMEN1KMT2A
SCHEMBL25909955 0.91 TMPRSS2 (0.40) TMPRSS2GLSCTSSCTSKCTSL
SCHEMBL24917331 0.91 TMPRSS2 (0.44) TMPRSS2GLSCTSSCTSKCTSL
SCHEMBL25922652 0.87 TMPRSS2 (0.39) TMPRSS2GLSCTSSCTSKCTSL
SCHEMBL30090993 0.86 TMPRSS2 (0.48) TMPRSS2
SCHEMBL30973736 0.86 TMPRSS2 (0.38) TMPRSS2GLSCTSSCTSKCTSL
SCHEMBL30973764 0.86 TMPRSS2 (0.38) TMPRSS2GLSCTSSCTSKCTSL
SCHEMBL30973779 0.85 TMPRSS2 (0.38) TMPRSS2GLSPTPN1CDC25BPTPN2
SCHEMBL27413367 0.85 TMPRSS2 (0.38) TMPRSS2GLSPTPN1CDC25BPTPN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118139868-A Orally bioavailable nucleoside analogs 维纳拓尔斯制药公司 2024-06-04 — — CN disclosed
EP-4355755-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS Venatorx Pharmaceuticals, Inc. (US) 2024-04-24 — — EP disclosed
WO-2022265964-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. (US) 2022-12-22 — — WO disclosed
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