SCHEMBL5630243

SCHEMBL5630243

CC(C)(C)OC(=O)COc1cc(Nc2ncc(-c3ccccc3)o2)ccc1-c1cnco1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 20/20 0.68

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
SCHEMBL1474198 0.91 IMPDH2 (0.76) IMPDH2
SCHEMBL1475938 0.84 IMPDH2 (0.81) IMPDH2
SCHEMBL1473010 0.82 IMPDH2 (1.00) IMPDH2
SCHEMBL1473597 0.80 IMPDH2 (0.65) IMPDH2
SCHEMBL1473463 0.79 IMPDH2 (0.74) IMPDH2
SCHEMBL1475776 0.77 IMPDH2 (0.78) IMPDH2
SCHEMBL1473618 0.74 IMPDH2 (0.83) IMPDH2
SCHEMBL1476225 0.74 IMPDH2 (0.85) IMPDH2
SCHEMBL1473908 0.73 IMPDH2 (0.73) IMPDH2
SCHEMBL5630245 0.73 POLB (0.39) IMPDH2

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 3 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
US-6399773-B1 AUTOIMMUNE DISEASE; TRANSPLANTING ORGANS BRISTOL-MYERS SQUIBB CO. 2002-06-04 US disclosed