SCHEMBL598529

SCHEMBL598529

Nc1nc(=O)n([C@@]2(C(=O)c3ccc(I)cc3)CC[C@@H](CO)O2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.36
DCK P27707 8/20 0.33
EP300 Q09472 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
SCHEMBL597961 0.92 ALB (0.37) ALBDCKEP300
SCHEMBL597543 0.91 DCK (0.40) ALBDCKEP300
SCHEMBL598445 0.91 DCK (0.38) ALBDCKEP300
SCHEMBL598982 0.90 DCK (0.41) ALBDCKEP300
SCHEMBL597971 0.89 ALB (0.35) ALBDCKEP300
SCHEMBL598692 0.89 DCK (0.42) ALBDCKEP300
SCHEMBL597942 0.88 ALB (0.35) ALBDCK
SCHEMBL4585346 0.85 ALB (0.37) ALBDCK
SCHEMBL597288 0.84 DCK (0.45) ALBDCK
SCHEMBL597929 0.84 DCK (0.40) ALBDCK

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-8114997-B2 N4-acylcytosine nucleosides for treatment of viral infections PHARMASSET, INC. (US) 2012-02-14 US disclosed