SCHEMBL24418858

SCHEMBL24418858

C[C@H](N)C(=O)OCC1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.48
▸ POLRMT O00411 1/20 0.34
▸ RIPK1 Q13546 6/20 0.33
▸ MARS1 P56192 3/20 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
SCHEMBL24606263 1.00 TMPRSS2 (0.48) TMPRSS2POLRMTRIPK1MARS1
SCHEMBL24606264 1.00 TMPRSS2 (0.48) TMPRSS2POLRMTRIPK1MARS1
Obeldesivir SCHEMBL27216326 0.94 TMPRSS2 (0.49) TMPRSS2POLRMTRIPK1
Obeldesivir SCHEMBL23959875 0.94 TMPRSS2 (0.49) TMPRSS2POLRMTRIPK1
SCHEMBL23959956 0.93 TMPRSS2 (0.47) TMPRSS2POLRMTRIPK1MARS1
SCHEMBL24312544 0.93 TMPRSS2 (0.47) TMPRSS2POLRMTRIPK1MARS1
SCHEMBL25821935 0.92 TMPRSS2 (0.48) TMPRSS2POLRMTRIPK1
SCHEMBL24606265 0.91 TMPRSS2 (0.45) TMPRSS2RIPK1
SCHEMBL24917639 0.91 TMPRSS2 (0.46) TMPRSS2POLRMTRIPK1MARS1
SCHEMBL25910137 0.91 TMPRSS2 (0.46) TMPRSS2POLRMTRIPK1

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-2022098371-A1 PRODRUGS OF 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGUES FOR ANTIVIRAL TREATMENT YAN MATTHEW (US) 2022-05-12 — — WO disclosed
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