SCHEMBL20078677

SCHEMBL20078677

N#C[C@@]1(c2ccc3c(N)ncnn23)O[C@H](CO[PH](=O)O)C[C@H]1O

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.40
▸ POLRMT O00411 1/20 0.34
▸ PIK3CD O00329 1/20 0.30
▸ RIPK1 Q13546 2/20 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
SCHEMBL20078643 0.89 POLRMT (0.37) TMPRSS2POLRMT
SCHEMBL24606306 0.86 TMPRSS2 (0.41) TMPRSS2POLRMTPIK3CDRIPK1
SCHEMBL10153929 0.85 TMPRSS2 (0.44) TMPRSS2POLRMTPIK3CD
SCHEMBL24789693 0.83 POLRMT (0.38) TMPRSS2POLRMTPIK3CD
SCHEMBL24074599 0.83 POLRMT (0.49) TMPRSS2POLRMT
SCHEMBL23034569 0.82 TMPRSS2 (0.36) TMPRSS2POLRMT
SCHEMBL18636432 0.82 TMPRSS2 (0.36) TMPRSS2POLRMTRIPK1
SCHEMBL24791772 0.82 POLRMT (0.37) TMPRSS2POLRMTPIK3CD
SCHEMBL20078672 0.81 TMPRSS2 (0.36) TMPRSS2RIPK1
SCHEMBL12454229 0.81 POLRMT (0.38) TMPRSS2POLRMTPIK3CD

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-9949994-B2 Methods for treating Filoviridae virus infections GILEAD SCIENCES, INC. (US) 2018-04-24 — — US disclosed
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