SCHEMBL14038976

SCHEMBL14038976

Cc1ncnn2c([C@]3(O)O[C@H](CO)[C@@H](O)[C@@]3(C)O)ccc12

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.36
▸ ADORA2A P29274 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
SCHEMBL12393410 1.00 TMPRSS2 (0.36) TMPRSS2ADORA2A
SCHEMBL10148586 0.89 TMPRSS2 (0.35) TMPRSS2
SCHEMBL12397055 0.89 TMPRSS2 (0.35) TMPRSS2
SCHEMBL12393401 0.88 TMPRSS2 (0.36) TMPRSS2ADORA2A
SCHEMBL16519851 0.87 ADORA2A (0.38) TMPRSS2ADORA2A
SCHEMBL12243240 0.87 ADORA2A (0.38) TMPRSS2ADORA2A
SCHEMBL12393413 0.84 TMPRSS2 (0.34) TMPRSS2
SCHEMBL12393415 0.84 TMPRSS2 (0.35) TMPRSS2
SCHEMBL12393404 0.84 TMPRSS2 (0.41) TMPRSS2
SCHEMBL12393417 0.81 ADORA2A (0.30) ADORA2A

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-8318682-B2 1′substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2012-11-27 — — US disclosed
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