SCHEMBL6486517

SCHEMBL6486517

COc1cc(NC(=O)C(=O)NC(C)(C)Cc2ccc(NC(=O)Cc3ccccc3F)cc2)ccc1-c1cnco1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 17/20 0.63
ROCK2 O75116 1/20 0.62
ROCK1 Q13464 1/20 0.62
AAK1 Q2M2I8 3/20 0.61
IMPDH1 P20839 6/20 0.60

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
SCHEMBL6484937 0.92 IMPDH2 (0.64) IMPDH2ROCK2ROCK1AAK1IMPDH1
SCHEMBL6483781 0.91 ROCK2 (0.76) IMPDH2ROCK2ROCK1AAK1IMPDH1
SCHEMBL6488779 0.89 IMPDH2 (0.67) IMPDH2ROCK2ROCK1AAK1IMPDH1
SCHEMBL15741650 0.87 ROCK2 (0.79) IMPDH2ROCK2ROCK1AAK1IMPDH1
SCHEMBL1476132 0.86 IMPDH2 (0.75) IMPDH2AAK1IMPDH1
SCHEMBL6501517 0.86 IMPDH2 (0.78) IMPDH2AAK1IMPDH1
SCHEMBL6485918 0.86 IMPDH2 (0.67) IMPDH2ROCK2ROCK1AAK1IMPDH1
SCHEMBL6486290 0.86 IMPDH2 (0.71) IMPDH2AAK1IMPDH1
SCHEMBL6487268 0.85 IMPDH2 (0.72) IMPDH2AAK1IMPDH1
SCHEMBL6485191 0.85 IMPDH2 (0.75) IMPDH2AAK1IMPDH1

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