SCHEMBL5399415

SCHEMBL5399415

COc1ccc(-c2ccc(C(=N)N)cn2)cc1-c1nc2ccc(C(=N)N)cc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLAU P00749 12/20 0.59
PLG P00747 11/20 0.59
F10 P00742 8/20 0.59
F2 P00734 7/20 0.59
PLAT P00750 6/20 0.59
PRSS1 P07477 6/20 0.59
HPN P05981 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50

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
SCHEMBL5395912 0.92 PLAU (0.49) PLAUPLGF10F2PLAT
Acetic Acid SCHEMBL6061859 0.88 PLAU (0.46) PLAUPLGF10F2PLAT
SCHEMBL5394696 0.83 PLAU (0.68) PLAUPLGF10F2PLAT
SCHEMBL30746755 0.80 PLAU (0.67) PLAUPLGF10F2PLAT
Acetic Acid SCHEMBL6061722 0.79 PLAU (0.63) PLAUPLGF10F2PRSS1
SCHEMBL6530669 0.79 HDAC6 (0.40) PLAUPLGF10F2PLAT
SCHEMBL5399385 0.79 PLAU (0.54) PLAUPLGF10F2PLAT
SCHEMBL6530664 0.78 HDAC6 (0.40) PLAUPLGF10F2PLAT
SCHEMBL13167159 0.75 PLAU (0.71) PLAUPLGF10F2PLAT
Acetic Acid SCHEMBL6508267 0.75 PLAU (0.50) PLAUPLGF10F2PLAT

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