SCHEMBL1782379

SCHEMBL1782379

O=C([O-])CN(CC(=O)[O-])Cc1cccc(-c2cc(-c3ccc(NC(=O)CI)cc3)cc(-c3cccc(CN(CC(=O)[O-])CC(=O)[O-])n3)n2)n1.O=C([O-])CN(CC(=O)[O-])Cc1cccc(-c2cc(-c3ccc(NC(=O)CI)cc3)cc(-c3cccc(CN(CC(=O)[O-])CC(=O)[O-])n3)n2)n1.O=C([O-])CN(CC(=O)[O-])Cc1cccc(-c2cc(-c3ccc(NC(=O)CI)cc3)cc(-c3cccc(CN(CC(=O)[O-])CC(=O)[O-])n3)n2)n1.[Eu+3].[Eu+3].[Eu+3].[Eu+3]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
HPGD P15428 4/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 3/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
SMO Q99835 1/20 0.33
AOC3 Q16853 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
WNT3A P56704 3/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 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
SCHEMBL18112561 0.82 CYP19A1 (0.36) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL1784625 0.82 LTB4R (0.35) ALDH1A1MEN1MAPTKMT2AAOC3
SCHEMBL18112512 0.80 CYP19A1 (0.35) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL7199262 0.80 TXN (0.39) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL1786817 0.76 CNR1 (0.34) HSD17B10
SCHEMBL13997749 0.73 LTB4R (0.39) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL13997750 0.70 LTB4R (0.41) ALDH1A1HPGDKDM4EMEN1MAPT
SCHEMBL9594349 0.70 LTB4R (0.41) ALDH1A1HPGDKDM4EMEN1MAPT
SCHEMBL29730191 0.69 TXN (0.41) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL6841224 0.69 MCL1 (0.40) ALDH1A1MAPTAOC3SMN1; SMN2

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
US-20110117571-A1 Transporter assay WALLAC OY (FI) 2011-05-19 US disclosed
EP-2215479-A1 TRANSPORTER ASSAY Wallac OY (FI) 2010-08-11 EP disclosed
WO-2009068751-A1 TRANSPORTER ASSAY WALLAC OY (FI) 2009-06-04 WO disclosed