SCHEMBL5548069

SCHEMBL5548069

COc1cc(NC2(NC(C)(C)CCOc3cccc(C(=O)O)c3)CCCCO2)ccc1-c1cnco1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 16/20 0.47
AAK1 Q2M2I8 5/20 0.43
IMPDH1 P20839 2/20 0.42

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
SCHEMBL5056838 0.93 IMPDH2 (0.46) IMPDH2AAK1IMPDH1
SCHEMBL6533062 0.90 IMPDH2 (0.45) IMPDH2AAK1IMPDH1
SCHEMBL6531402 0.90 IMPDH2 (0.46) IMPDH2AAK1IMPDH1
SCHEMBL5056202 0.89 IMPDH2 (0.46) IMPDH2AAK1IMPDH1
SCHEMBL16508273 0.88 IMPDH2 (0.44) IMPDH2AAK1IMPDH1
SCHEMBL5134743 0.88 IMPDH2 (0.44) IMPDH2AAK1IMPDH1
SCHEMBL14877035 0.88 IMPDH2 (0.46) IMPDH2AAK1IMPDH1
SCHEMBL5148499 0.87 IMPDH2 (0.45) IMPDH2AAK1IMPDH1
SCHEMBL16508284 0.87 IMPDH2 (0.44) IMPDH2AAK1IMPDH1
SCHEMBL5053656 0.86 IMPDH2 (0.44) 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-1765336-A2 ANGIOGENESIS INHIBITORS THE JOHNS-HOPKINS UNIVERSITY (US) 2007-03-28 EP disclosed
WO-2006004795-A2 ANGIOGENESIS INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2006-01-12 WO disclosed