SCHEMBL6498609

SCHEMBL6498609

COc1cc(NC(=O)C(=O)NC(C)(C)CC2CCCCC2)ccc1-c1cnco1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 11/20 0.74
IMPDH1 P20839 4/20 0.70
AAK1 Q2M2I8 8/20 0.68

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
SCHEMBL6484784 0.91 IMPDH2 (0.71) IMPDH2IMPDH1AAK1
SCHEMBL6488171 0.89 IMPDH2 (0.68) IMPDH2IMPDH1AAK1
SCHEMBL6485597 0.88 IMPDH2 (0.66) IMPDH2IMPDH1AAK1
SCHEMBL6485985 0.88 IMPDH2 (0.66) IMPDH2IMPDH1AAK1
SCHEMBL6486318 0.87 IMPDH2 (0.65) IMPDH2IMPDH1AAK1
SCHEMBL6490063 0.86 IMPDH2 (0.64) IMPDH2IMPDH1AAK1
SCHEMBL6485359 0.85 AAK1 (0.75) IMPDH2IMPDH1AAK1
SCHEMBL1474188 0.85 IMPDH2 (0.85) IMPDH2IMPDH1AAK1
SCHEMBL1473286 0.85 IMPDH2 (1.00) IMPDH2IMPDH1AAK1
SCHEMBL6486472 0.85 IMPDH2 (0.62) 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