SCHEMBL5613896

SCHEMBL5613896

COc1cc(NC(=O)C(=O)NCC(C)c2ccccc2)ccc1-c1cnco1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 10/20 0.73
AAK1 Q2M2I8 11/20 0.66
IMPDH1 P20839 1/20 0.62

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
SCHEMBL1473366 0.85 IMPDH2 (1.00) IMPDH2AAK1IMPDH1
SCHEMBL1476067 0.85 IMPDH2 (0.79) IMPDH2AAK1IMPDH1
SCHEMBL5524840 0.83 IMPDH2 (0.73) IMPDH2AAK1IMPDH1
SCHEMBL6484130 0.83 IMPDH2 (0.74) IMPDH2AAK1IMPDH1
SCHEMBL15741817 0.82 AAK1 (0.80) IMPDH2AAK1
SCHEMBL5613894 0.81 IMPDH2 (0.73) IMPDH2AAK1IMPDH1
SCHEMBL3939748 0.81 IMPDH2 (0.83) IMPDH2AAK1IMPDH1
SCHEMBL14518602 0.81 IMPDH2 (0.83) IMPDH2AAK1IMPDH1
SCHEMBL6485198 0.80 IMPDH2 (0.64) IMPDH2AAK1IMPDH1
SCHEMBL3995894 0.80 IMPDH2 (0.82) IMPDH2AAK1IMPDH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786415-A1 METABOLISM-MODULATING AGENTS AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2007-05-23 EP disclosed
WO-2006017896-A1 METABOLISM-MODULATING AGENTS AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2006-02-23 WO disclosed