SCHEMBL20078643

SCHEMBL20078643

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

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.37
▸ TMPRSS2 O15393 1/20 0.36
▸ RNASEL Q05823 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
SCHEMBL20078677 0.89 TMPRSS2 (0.40) POLRMTTMPRSS2
SCHEMBL24789693 0.88 POLRMT (0.38) POLRMTTMPRSS2
SCHEMBL24074599 0.88 POLRMT (0.49) POLRMTTMPRSS2RNASEL
SCHEMBL18666920 0.87 TMPRSS2 (0.46) POLRMTTMPRSS2
SCHEMBL24791772 0.87 POLRMT (0.37) POLRMTTMPRSS2
SCHEMBL24606306 0.83 TMPRSS2 (0.41) POLRMTTMPRSS2
SCHEMBL12454229 0.83 POLRMT (0.38) POLRMTTMPRSS2
SCHEMBL10153929 0.81 TMPRSS2 (0.44) POLRMTTMPRSS2
SCHEMBL20144212 0.80 TMPRSS2 (0.37) POLRMTTMPRSS2
SCHEMBL18636432 0.79 TMPRSS2 (0.36) POLRMTTMPRSS2

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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