SCHEMBL26229875

SCHEMBL26229875

CC(C)C(=O)Nc1ncnn2c([C@@H]3O[C@](C)(CO)[C@@H](O)[C@H]3O)ccc12

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.37
▸ POLRMT O00411 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ DOT1L Q8TEK3 2/20 0.32

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
SCHEMBL26229867 0.88 POLRMT (0.35) TMPRSS2POLRMTTSHRDOT1L
SCHEMBL26235345 0.86 LCK (0.35) TMPRSS2POLRMTTSHR
SCHEMBL25385813 0.85 TMPRSS2 (0.42) TMPRSS2POLRMTTSHR
SCHEMBL26229812 0.80 POLRMT (0.35) TMPRSS2POLRMTDOT1L
SCHEMBL16708561 0.78 POLRMT (0.48) POLRMTDOT1L
SCHEMBL25388404 0.78 TMPRSS2 (0.38) TMPRSS2POLRMT
SCHEMBL26229754 0.77 — —
SCHEMBL19101806 0.77 TMPRSS2 (0.42) TMPRSS2
SCHEMBL26229868 0.74 POLRMT (0.34) TMPRSS2POLRMT
SCHEMBL26823086 0.73 TMPRSS2 (0.40) TMPRSS2POLRMT

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-2023168194-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. (US) 2023-09-07 — — WO disclosed
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