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Sugi Predict / Compounds / SCHEMBL2384732

SCHEMBL2384732

SCHEMBL2384732

Nc1ccc(C#Cc2cc(CN(CC(=O)[O-])CC(=O)[O-])nc(CN(CC(=O)O)Cc3cc(C#Cc4ccc(N)cc4)cc(CN(CC(=O)[O-])CC(=O)[O-])n3)c2)cc1.Nc1ccc(C#Cc2cc(CN(CC(=O)[O-])CC(=O)[O-])nc(CN(CC(=O)O)Cc3cc(C#Cc4ccc(N)cc4)cc(CN(CC(=O)[O-])CC(=O)[O-])n3)c2)cc1.Nc1ccc(C#Cc2cc(CN(CC(=O)[O-])CC(=O)[O-])nc(CN(CC(=O)O)Cc3cc(C#Cc4ccc(N)cc4)cc(CN(CC(=O)[O-])CC(=O)[O-])n3)c2)cc1.[Eu+3].[Eu+3].[Eu+3].[Eu+3]

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.36
▸ FFAR1 O14842 4/20 0.34
▸ MAPT P10636 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA4 P22748 2/20 0.32

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
SCHEMBL5326532 0.91 APP (0.42) APPFFAR1MAPTEGLN1
SCHEMBL2383871 0.83 HSD17B10 (0.36) FFAR1
SCHEMBL2367316 0.82 FFAR1 (0.35) APPFFAR1MAPTEGLN1CA1
SCHEMBL24409564 0.81 APP (0.34) APPFFAR1MAPTEGLN1
SCHEMBL5009551 0.79 FFAR1 (0.44) APPFFAR1EGLN1
SCHEMBL9356281 0.79 FFAR1 (0.37) APPFFAR1MAPTEGLN1
SCHEMBL13247884 0.78 EGLN1 (0.48) FFAR1EGLN1
SCHEMBL15622015 0.76 CA1 (0.33) CA1CA2CA4
SCHEMBL890271 0.76 HSD17B10 (0.34) CA1CA2
SCHEMBL18674481 0.76 FFAR1 (0.36) FFAR1MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367001-B1 Biospecific binding reactants labeled with new luminescent lanthanide chelates and their use DHR FINLAND OY (FI) 2014-07-30 — — EP disclosed
EP-1447666-B1 Biospecific binding reactants labeled with new luminescent lanthanide chelates and their use DHR FINLAND OY (FI) 2012-07-25 — — EP disclosed
EP-2367001-A1 Biospecific binding reactants labeled with new luminescent lanthanide chelates and their use DHR Finland Oy (FI) 2011-09-21 — — EP disclosed
US-7018851-B2 Biospecific binding reactants labeled with new luminescent lanthanide chelates and their use INNOTRAC DIAGNOSTICS OY (FI) 2006-03-28 — — US disclosed
US-20040166585-A1 Biospecific binding reactants labeled with new luminescent lanthanide chelates and their use INNOTRAC DIAGNOSTICS OY (FI) 2004-08-26 — — US disclosed
EP-1447666-A2 Biospecific binding reactants labeled with new luminescent lanthanide chelates and their use Innotrac Diagnostics Oy (FI) 2004-08-18 — — EP disclosed