SCHEMBL19997390

SCHEMBL19997390

CCOC[C@H]1O[C@@](C#N)(c2cnc3c(N)ncnn23)[C@H](O)[C@@H]1O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ FGFR1 P11362 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
SCHEMBL17215154 0.90 TMPRSS2 (0.40) TMPRSS2ADORA3
SCHEMBL14681868 0.88 TMPRSS2 (0.38) TMPRSS2
SCHEMBL30363053 0.86 TMPRSS2 (0.49) TMPRSS2ADORA3POLB
SCHEMBL19997424 0.83 ADORA3 (0.31) ADORA3KDM4EPOLBHTTRECQL
SCHEMBL15607071 0.77 — —
SCHEMBL16519861 0.74 TMPRSS2 (0.49) TMPRSS2
SCHEMBL30363078 0.74 TMPRSS2 (0.48) TMPRSS2
SCHEMBL25433905 0.73 TMPRSS2 (0.48) TMPRSS2KDM4EPOLBHTTRECQL
SCHEMBL25383499 0.73 TMPRSS2 (0.48) TMPRSS2KDM4EPOLBHTTRECQL
SCHEMBL16519895 0.73 PRMT5 (0.34) —

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
US-RE46762-E1 1′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC (US) 2018-03-27 — — US disclosed
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