SCHEMBL599040

SCHEMBL599040

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DCK P27707 11/20 0.42
ALB P02768 1/20 0.33
NPC1 O15118 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
CDK2 P24941 2/20 0.31
CCNA2 P20248 1/20 0.31
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PARP1 P09874 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
SCHEMBL599496 0.90 DCK (0.37) DCKALBCDK2SMN1; SMN2
SCHEMBL598541 0.89 DCK (0.37) DCKALBTSHRSMN1; SMN2ALDH1A1
SCHEMBL598439 0.85 ALB (0.36) DCKALB
SCHEMBL598272 0.83 DCK (0.35) DCKALB
SCHEMBL597635 0.83 ALB (0.35) ALB
SCHEMBL599086 0.82 EP300 (0.37) ALB
SCHEMBL598689 0.82 DCK (0.39) DCKALBNPC1CDK2SMN1; SMN2
SCHEMBL599309 0.81 ALB (0.33) ALB
SCHEMBL597780 0.80 ALB (0.39) ALB
SCHEMBL597288 0.78 DCK (0.45) 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