SCHEMBL6489641

SCHEMBL6489641

C#CC(C)(C)NC(=O)C(=O)Nc1ccc(-c2cnco2)c(OC)c1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 18/20 0.79
IMPDH1 P20839 8/20 0.79
AAK1 Q2M2I8 2/20 0.59

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
SCHEMBL1474014 0.89 IMPDH2 (1.00) IMPDH2IMPDH1AAK1
SCHEMBL1472993 0.87 IMPDH2 (0.72) IMPDH2IMPDH1AAK1
SCHEMBL1473815 0.86 IMPDH2 (1.00) IMPDH2IMPDH1AAK1
SCHEMBL1475861 0.86 IMPDH2 (0.85) IMPDH2IMPDH1AAK1
SCHEMBL1473286 0.85 IMPDH2 (1.00) IMPDH2IMPDH1AAK1
SCHEMBL1474188 0.85 IMPDH2 (0.85) IMPDH2IMPDH1AAK1
SCHEMBL6498795 0.84 IMPDH2 (0.80) IMPDH2IMPDH1AAK1
SCHEMBL6490216 0.84 IMPDH2 (0.81) IMPDH2IMPDH1AAK1
SCHEMBL1474040 0.84 IMPDH2 (0.83) IMPDH2IMPDH1AAK1
SCHEMBL6495844 0.84 IMPDH2 (0.83) IMPDH2IMPDH1AAK1

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-6867299-B2 Inosine monophosphate dehydrogenase (IMPDH); use as immunosuppressants, anticancer agents and antiviral agents HOFFMANN-LA ROCHE INC. (US) 2005-03-15 US disclosed