SCHEMBL6495209

SCHEMBL6495209

COc1cc(NC(=O)C(=O)NC(C)(C)CN2CCN(c3ccoc3C)CC2)ccc1-c1cnco1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 18/20 0.65
IMPDH1 P20839 7/20 0.62
AAK1 Q2M2I8 2/20 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
SCHEMBL6497558 0.89 IMPDH2 (0.65) IMPDH2IMPDH1AAK1
SCHEMBL6486607 0.89 IMPDH2 (0.67) IMPDH2IMPDH1AAK1
SCHEMBL6497013 0.89 IMPDH2 (0.64) IMPDH2IMPDH1AAK1
SCHEMBL6499379 0.88 IMPDH2 (0.63) IMPDH2IMPDH1AAK1
SCHEMBL6496427 0.88 IMPDH2 (0.65) IMPDH2IMPDH1AAK1
SCHEMBL6495232 0.88 IMPDH2 (0.67) IMPDH2IMPDH1AAK1
SCHEMBL6495172 0.87 IMPDH2 (0.64) IMPDH2IMPDH1AAK1
SCHEMBL6483734 0.87 IMPDH2 (0.68) IMPDH2IMPDH1AAK1
SCHEMBL6485736 0.86 IMPDH2 (0.67) IMPDH2IMPDH1AAK1
SCHEMBL6486603 0.86 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 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