SCHEMBL597929

SCHEMBL597929

Nc1nc(=O)n([C@@]2(C(=O)c3cccc(Br)c3)CC[C@@H](CO)O2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DCK P27707 11/20 0.40
ALB P02768 1/20 0.34
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.31
HSD11B1 P28845 1/20 0.31
L3MBTL3 Q96JM7 2/20 0.31
L3MBTL4 Q8NA19 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL597288 0.90 DCK (0.45) DCKALBMAPK1
SCHEMBL598445 0.89 DCK (0.38) DCKALB
SCHEMBL598982 0.89 DCK (0.41) DCKALB
SCHEMBL597961 0.85 ALB (0.37) DCKALB
SCHEMBL597543 0.84 DCK (0.40) DCKALB
SCHEMBL597971 0.84 ALB (0.35) DCKALB
SCHEMBL598529 0.84 ALB (0.36) DCKALB
SCHEMBL4585346 0.83 ALB (0.37) DCKALB
SCHEMBL4585226 0.82 ALB (0.35) DCKALB
SCHEMBL598692 0.82 DCK (0.42) DCKALB

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