SCHEMBL6486385

SCHEMBL6486385

COc1cccc(C(=O)Nc2ccc(CC(C)(C)NC(=O)C(=O)Nc3ccc(-c4cnco4)c(OC)c3)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 20/20 0.66
IMPDH1 P20839 4/20 0.63
AAK1 Q2M2I8 1/20 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
SCHEMBL6487268 0.92 IMPDH2 (0.72) IMPDH2IMPDH1AAK1
SCHEMBL6493702 0.92 IMPDH2 (0.65) IMPDH2IMPDH1AAK1
SCHEMBL6489392 0.92 IMPDH2 (0.65) IMPDH2IMPDH1AAK1
SCHEMBL6494063 0.90 IMPDH2 (0.70) IMPDH2IMPDH1AAK1
SCHEMBL6493605 0.90 IMPDH2 (0.73) IMPDH2IMPDH1AAK1
SCHEMBL6484931 0.90 IMPDH2 (0.65) IMPDH2IMPDH1AAK1
SCHEMBL6502204 0.89 IMPDH2 (0.76) IMPDH2IMPDH1AAK1
SCHEMBL6484504 0.89 IMPDH2 (0.70) IMPDH2IMPDH1AAK1
SCHEMBL6487141 0.88 IMPDH2 (0.69) IMPDH2IMPDH1AAK1
SCHEMBL6486092 0.88 IMPDH2 (0.69) IMPDH2IMPDH1

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