SCHEMBL6182923

SCHEMBL6182923

COc1cc(N2C=C(c3cccc(S(C)(=O)=O)c3)OC2N)ccc1-c1cnco1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 14/20 0.51
IMPDH1 P20839 2/20 0.43
AAK1 Q2M2I8 6/20 0.40

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
SCHEMBL1473863 0.87 IMPDH2 (0.51) IMPDH2IMPDH1
SCHEMBL1474001 0.87 IMPDH2 (0.51) IMPDH2IMPDH1
SCHEMBL1473012 0.86 IMPDH2 (0.50) IMPDH2IMPDH1
SCHEMBL1474110 0.84 IMPDH2 (0.42) IMPDH2IMPDH1AAK1
SCHEMBL1472717 0.82 IMPDH2 (0.50) IMPDH2IMPDH1AAK1
SCHEMBL1473433 0.82 IMPDH2 (0.49) IMPDH2IMPDH1AAK1
SCHEMBL1472951 0.82 IMPDH2 (0.49) IMPDH2IMPDH1AAK1
SCHEMBL1473137 0.81 IMPDH2 (0.50) IMPDH2IMPDH1AAK1
SCHEMBL1475193 0.80 IMPDH2 (0.47) IMPDH2IMPDH1AAK1
SCHEMBL1472846 0.80 IMPDH2 (0.49) 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 3 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 claimed
EP-1126843-A1 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS THAT ARE INHIBITORS OF IMPDH ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-29 EP claimed
WO-2000025780-A1 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS THAT ARE INHIBITORS OF IMPDH ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2000-05-11 WO claimed