SCHEMBL599496

SCHEMBL599496

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

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DCK P27707 5/20 0.37
ALB P02768 1/20 0.35
EP300 Q09472 4/20 0.33
CDK2 P24941 1/20 0.32
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL598439 0.93 ALB (0.36) DCKALBEP300
SCHEMBL597635 0.91 ALB (0.35) ALBEP300
SCHEMBL598272 0.91 DCK (0.35) DCKALBEP300
SCHEMBL599040 0.90 DCK (0.42) DCKALBCDK2SMN1; SMN2
SCHEMBL599086 0.90 EP300 (0.37) ALBEP300
SCHEMBL598689 0.90 DCK (0.39) DCKALBEP300CDK2SMN1; SMN2
SCHEMBL599309 0.89 ALB (0.33) ALBEP300
SCHEMBL598541 0.84 DCK (0.37) DCKALBMAPTSMN1; SMN2
SCHEMBL597780 0.83 ALB (0.39) ALBEP300
SCHEMBL599573 0.80 ALB (0.36) ALBEP300

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