SCHEMBL6485456

SCHEMBL6485456

CCS(=O)(=O)N1CCN(CC(C)(C)NC(=O)C(=O)Nc2ccc(-c3cnco3)c(OC)c2)CC1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 14/20 0.69
IMPDH1 P20839 5/20 0.66
AAK1 Q2M2I8 6/20 0.52

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
SCHEMBL6489671 0.95 IMPDH2 (0.65) IMPDH2IMPDH1AAK1
SCHEMBL6485627 0.92 IMPDH2 (0.62) IMPDH2IMPDH1AAK1
SCHEMBL6528835 0.91 IMPDH2 (0.66) IMPDH2IMPDH1AAK1
SCHEMBL6487332 0.90 IMPDH2 (0.61) IMPDH2IMPDH1AAK1
SCHEMBL6487022 0.90 IMPDH2 (0.61) IMPDH2IMPDH1AAK1
SCHEMBL6485393 0.90 IMPDH2 (0.64) IMPDH2IMPDH1AAK1
SCHEMBL6487735 0.89 IMPDH2 (0.62) IMPDH2IMPDH1AAK1
SCHEMBL6487976 0.89 IMPDH2 (0.62) IMPDH2IMPDH1AAK1
SCHEMBL6494376 0.89 IMPDH2 (0.62) IMPDH2IMPDH1AAK1
SCHEMBL6497315 0.88 IMPDH2 (0.71) 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