SCHEMBL5408978

SCHEMBL5408978

N=C(N)c1ccc2nc(-c3ccc(-c4ccc(C(=N)N)c(F)c4)cc3)[nH]c2c1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLAU P00749 8/20 0.65
PRSS1 P07477 4/20 0.65
PLG P00747 7/20 0.60
CHEK2 O96017 2/20 0.58
F2 P00734 4/20 0.57
F10 P00742 4/20 0.57
PLAT P00750 3/20 0.57
F7 P08709 1/20 0.56

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
SCHEMBL5408990 0.91 PLAU (0.52) PLAUPRSS1PLGCHEK2F2
SCHEMBL14355116 0.87 PLAU (0.83) PLAUPRSS1PLGCHEK2F2
SCHEMBL24312880 0.86 PLAU (0.81) PLAUPRSS1PLGCHEK2F2
SCHEMBL14519390 0.86 PLAU (0.86) PLAUPRSS1PLGF2F10
SCHEMBL13167166 0.85 PLAU (0.53) PLAUPRSS1PLGF2F10
Acetic Acid SCHEMBL6510589 0.85 PLAU (0.49) PLAUPRSS1PLGCHEK2F2
SCHEMBL5517426 0.85 PLAU (0.83) PLAUPRSS1PLGF2F10
SCHEMBL12348362 0.82 PLAU (0.79) PLAUPRSS1PLGF2F10
SCHEMBL14519365 0.81 PLAU (0.73) PLAUPRSS1PLGCHEK2F2
SCHEMBL14599555 0.81 PLAU (0.77) PLAUPRSS1PLGCHEK2F2

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
JP-2007509176-A 2007-04-12 JP claimed
EP-1682518-A1 DICATIONIC TRIARYL ANALOGS AS ANTI-PROTOZOAN AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2006-07-26 EP claimed
WO-2005040132-A1 DICATIONIC TRIARYL ANALOGS AS ANTI-PROTOZOAN AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-05-06 WO claimed