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Sugi Predict / Compounds / SCHEMBL6486074

SCHEMBL6486074

SCHEMBL6486074

COc1cc(NC(=O)C(=O)NC(C)(C)CCSc2ccc(O)cc2)ccc1-c1cnco1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 16/20 0.73
▸ IMPDH1 P20839 7/20 0.67
▸ AAK1 Q2M2I8 5/20 0.53

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
SCHEMBL6486753 0.92 IMPDH2 (0.71) IMPDH2IMPDH1AAK1
SCHEMBL6486154 0.92 IMPDH2 (0.68) IMPDH2IMPDH1AAK1
SCHEMBL6494473 0.92 IMPDH2 (0.75) IMPDH2IMPDH1AAK1
SCHEMBL5012540 0.87 IMPDH2 (0.74) IMPDH2IMPDH1AAK1
SCHEMBL6486279 0.87 IMPDH2 (0.77) IMPDH2IMPDH1AAK1
SCHEMBL6486643 0.87 IMPDH2 (0.70) IMPDH2IMPDH1AAK1
SCHEMBL6500037 0.85 IMPDH2 (0.79) IMPDH2IMPDH1AAK1
SCHEMBL6498962 0.85 IMPDH2 (0.85) IMPDH2IMPDH1AAK1
SCHEMBL1473286 0.85 IMPDH2 (1.00) IMPDH2IMPDH1AAK1
SCHEMBL6496571 0.85 IMPDH2 (0.67) 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 2 patents. 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 claimed
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