SCHEMBL6172671

SCHEMBL6172671

Oc1cc(Nc2ncc(-c3ccccc3Br)o2)ccc1-c1cnco1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 20/20 0.61

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
SCHEMBL1475190 0.85 IMPDH2 (0.85) IMPDH2
SCHEMBL1475776 0.85 IMPDH2 (0.78) IMPDH2
SCHEMBL1473597 0.81 IMPDH2 (0.65) IMPDH2
SCHEMBL1475820 0.77 IMPDH2 (1.00) IMPDH2
SCHEMBL1473135 0.76 IMPDH2 (1.00) IMPDH2
SCHEMBL1472762 0.74 IMPDH2 (1.00) IMPDH2
SCHEMBL1473282 0.74 IMPDH2 (0.81) IMPDH2
SCHEMBL1328549 0.74 GAA (0.50) IMPDH2
SCHEMBL1473618 0.72 IMPDH2 (0.83) IMPDH2
SCHEMBL1473232 0.71 IMPDH2 (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1126843-A4 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS THAT ARE INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2005-06-15 EP disclosed
US-6399773-B1 AUTOIMMUNE DISEASE; TRANSPLANTING ORGANS BRISTOL-MYERS SQUIBB CO. 2002-06-04 US disclosed
EP-1126843-A1 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS THAT ARE INHIBITORS OF IMPDH ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-29 EP disclosed
WO-2000025780-A1 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS THAT ARE INHIBITORS OF IMPDH ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2000-05-11 WO disclosed