SCHEMBL6487140

SCHEMBL6487140

COc1ccc2c(CC(C)(C)NC(=O)C(=O)Nc3ccc(-c4cnco4)c(OC)c3)occ2c1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 17/20 0.67
IMPDH1 P20839 6/20 0.64
AAK1 Q2M2I8 4/20 0.51

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
SCHEMBL6487062 0.94 IMPDH2 (0.67) IMPDH2IMPDH1AAK1
SCHEMBL6486419 0.90 IMPDH2 (0.69) IMPDH2IMPDH1AAK1
SCHEMBL6486846 0.85 IMPDH2 (0.69) IMPDH2IMPDH1AAK1
SCHEMBL6502204 0.85 IMPDH2 (0.76) IMPDH2IMPDH1AAK1
SCHEMBL6485124 0.85 IMPDH2 (0.68) IMPDH2IMPDH1AAK1
SCHEMBL6487137 0.84 IMPDH2 (0.67) IMPDH2IMPDH1AAK1
SCHEMBL6493605 0.83 IMPDH2 (0.73) IMPDH2IMPDH1AAK1
SCHEMBL6487055 0.82 IMPDH2 (0.67) IMPDH2IMPDH1AAK1
SCHEMBL6498324 0.82 IMPDH2 (0.69) IMPDH2IMPDH1AAK1
SCHEMBL6485950 0.82 IMPDH2 (0.74) 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