SCHEMBL6487976

SCHEMBL6487976

COc1cc(NC(=O)C(=O)NC(C)(C)CN2CCN(S(=O)(=O)c3ccccc3C)CC2)ccc1-c1cnco1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 19/20 0.62
IMPDH1 P20839 5/20 0.59
AAK1 Q2M2I8 1/20 0.49
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49

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
SCHEMBL6487345 0.92 IMPDH2 (0.62) IMPDH2IMPDH1AAK1ROCK2ROCK1
SCHEMBL6485393 0.91 IMPDH2 (0.64) IMPDH2IMPDH1AAK1ROCK2ROCK1
SCHEMBL6488573 0.91 IMPDH2 (0.60) IMPDH2IMPDH1AAK1
SCHEMBL6489225 0.90 IMPDH2 (0.59) IMPDH2IMPDH1AAK1ROCK2ROCK1
SCHEMBL6494376 0.90 IMPDH2 (0.62) IMPDH2IMPDH1AAK1
SCHEMBL6485456 0.89 IMPDH2 (0.69) IMPDH2IMPDH1AAK1
SCHEMBL6491077 0.88 IMPDH2 (0.62) IMPDH2IMPDH1AAK1
SCHEMBL6496761 0.87 IMPDH2 (0.65) IMPDH2IMPDH1AAK1ROCK2ROCK1
SCHEMBL6497558 0.87 IMPDH2 (0.65) IMPDH2IMPDH1AAK1
SCHEMBL6485339 0.87 IMPDH2 (0.61) IMPDH2IMPDH1AAK1ROCK2ROCK1

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