SCHEMBL6499382

SCHEMBL6499382

COc1cc(NC(=O)C(=O)NC(C)(C)CCOc2cccc(C#N)c2)ccc1-c1cnco1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 20/20 0.64
IMPDH1 P20839 6/20 0.61

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
SCHEMBL5010857 0.93 IMPDH2 (0.67) IMPDH2IMPDH1
SCHEMBL5010873 0.92 IMPDH2 (0.68) IMPDH2IMPDH1
SCHEMBL5013902 0.91 IMPDH2 (0.70) IMPDH2IMPDH1
SCHEMBL5011036 0.91 IMPDH2 (0.73) IMPDH2IMPDH1
SCHEMBL5010993 0.90 IMPDH2 (0.67) IMPDH2IMPDH1
SCHEMBL5010861 0.90 IMPDH2 (0.69) IMPDH2IMPDH1
SCHEMBL5010858 0.89 IMPDH2 (0.66) IMPDH2IMPDH1
SCHEMBL5010905 0.89 IMPDH2 (0.66) IMPDH2IMPDH1
SCHEMBL5013906 0.88 IMPDH2 (0.67) IMPDH2IMPDH1
SCHEMBL5010205 0.88 IMPDH2 (0.67) IMPDH2IMPDH1

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