SCHEMBL882530

SCHEMBL882530

C[C@H]1C[C@@H](CO)O[C@@]1(C#N)c1ccc2c(N)ncnn12

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.41
▸ PIK3CD O00329 11/20 0.33
▸ ACVRL1 P37023 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
SCHEMBL10153929 0.90 TMPRSS2 (0.44) TMPRSS2PIK3CDACVRL1
SCHEMBL12454229 0.86 POLRMT (0.38) TMPRSS2PIK3CD
SCHEMBL19504314 0.85 TMPRSS2 (0.38) TMPRSS2
SCHEMBL13667660 0.84 TMPRSS2 (0.41) TMPRSS2
SCHEMBL10082720 0.82 BACE1 (0.34) TMPRSS2PIK3CD
SCHEMBL10120799 0.81 TMPRSS2 (0.36) TMPRSS2ACVRL1
SCHEMBL18697868 0.81 RIPK1 (0.31) —
SCHEMBL13667663 0.80 TMPRSS2 (0.51) TMPRSS2PIK3CDACVRL1
SCHEMBL25610105 0.79 TMPRSS2 (0.37) TMPRSS2
Gs-441524 SCHEMBL24975226 0.79 TMPRSS2 (0.60) TMPRSS2ACVRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012087596-A1 COMBINATIONS FOR TREATING HCV GILEAD SCIENCES, INC. (US) 2012-06-28 — — WO disclosed
WO-2012039791-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-03-29 — — WO disclosed
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