SCHEMBL12293197

SCHEMBL12293197

Nc1ccc(-c2cc(CN(CC(=O)O)CC(=O)O)nc(CN(CC(=O)O)Cc3cc(-c4ccc(N)cc4)cc(CN(CC(=O)O)CC(=O)O)n3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.38
ALPL P05186 1/20 0.35
ALDH1A1 P00352 5/20 0.34
MAPT P10636 5/20 0.34
TDP1 Q9NUW8 3/20 0.34
GAA P10253 3/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MITF O75030 1/20 0.34
POLB P06746 1/20 0.34
NFKB1 P19838 1/20 0.34
RECQL P46063 1/20 0.34
GFER P55789 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
PAX8 Q06710 1/20 0.34
KLF5 Q13887 1/20 0.34
CYP3A4 P08684 2/20 0.33

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
SCHEMBL9296643 0.85 LTB4R (0.41) LTB4RALPLALDH1A1MAPTTDP1
SCHEMBL13267939 0.83 KDM4E (0.40) LTB4RALDH1A1MAPTGAAHPGD
SCHEMBL8224582 0.82 MAOA (0.43) ALDH1A1MAPTHPGDKDM4ECYP3A4
SCHEMBL7908882 0.81 ALDH1A1 (0.36) LTB4RALDH1A1MAPTTDP1GAA
SCHEMBL10535744 0.81 GFER (0.41) GFERHDAC1CA1CA2
SCHEMBL13997750 0.80 LTB4R (0.41) LTB4RALPLALDH1A1MAPTGAA
SCHEMBL9594349 0.80 LTB4R (0.41) LTB4RALPLALDH1A1MAPTGAA
SCHEMBL5326532 0.79 APP (0.42) MAPT
SCHEMBL10044304 0.76 ALDH1A1 (0.33) ALDH1A1MAPTPOLBGFERCA2
SCHEMBL2384732 0.75 APP (0.36) MAPTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367001-A1 Biospecific binding reactants labeled with new luminescent lanthanide chelates and their use DHR Finland Oy (FI) 2011-09-21 EP disclosed