SCHEMBL881451

SCHEMBL881451

CCOC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@@H](C)[C@@H]1O)Oc1cccc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.35
▸ POLRMT O00411 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 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
SCHEMBL30269951 0.95 TMPRSS2 (0.40) TMPRSS2POLRMT
SCHEMBL24149141 0.95 TMPRSS2 (0.40) TMPRSS2POLRMT
SCHEMBL882033 0.90 TMPRSS2 (0.36) TMPRSS2POLRMT
SCHEMBL30269866 0.90 TMPRSS2 (0.38) TMPRSS2
SCHEMBL24148992 0.90 TMPRSS2 (0.38) TMPRSS2
SCHEMBL30472852 0.89 TMPRSS2 (0.38) TMPRSS2POLRMT
SCHEMBL24149187 0.89 TMPRSS2 (0.37) TMPRSS2POLRMT
SCHEMBL30269874 0.89 TMPRSS2 (0.37) TMPRSS2POLRMT
SCHEMBL24149813 0.88 TMPRSS2 (0.32) TMPRSS2
SCHEMBL25012547 0.88 TMPRSS2 (0.32) TMPRSS2

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-2012039787-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-03-29 — — 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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