SCHEMBL9307985

SCHEMBL9307985

O=C([O-])CN(CC(=O)[O-])Cc1cc(C(=O)c2cccc(N=C=S)c2)cc(CN(CC(=O)[O-])CC(=O)[O-])c1O.O=C([O-])CN(CC(=O)[O-])Cc1cc(C(=O)c2cccc(N=C=S)c2)cc(CN(CC(=O)[O-])CC(=O)[O-])c1O.O=C([O-])CN(CC(=O)[O-])Cc1cc(C(=O)c2cccc(N=C=S)c2)cc(CN(CC(=O)[O-])CC(=O)[O-])c1O.[Tb+3].[Tb+3].[Tb+3].[Tb+3]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPT P10636 4/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
PLCG1 P19174 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP3A4 P08684 3/20 0.31
P2RY6 Q15077 2/20 0.31
ALOX15 P16050 1/20 0.31
KDM4E B2RXH2 2/20 0.31
USP2 O75604 2/20 0.31
LTA P01374 2/20 0.31
HPGD P15428 2/20 0.31
P2RX3 P56373 2/20 0.31

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
SCHEMBL4623107 0.89 HSD17B10 (0.36) FASNALDH1A1MAPTMEN1KMT2A
SCHEMBL9307968 0.88 HSD17B10 (0.35) FASNALDH1A1MAPTMEN1KMT2A
SCHEMBL5853890 0.79 GABRA1 (0.42) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL13123474 0.72 ATM (0.57) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL8095440 0.67 THRB (0.37) FASNALDH1A1MAPTMEN1KMT2A
SCHEMBL3973204 0.67 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL687302 0.66 MIF (0.52) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL5853906 0.66 GABRA1 (0.44) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL1046632 0.66 TDP1 (0.48) FASNALDH1A1MAPTMEN1KMT2A
SCHEMBL6121904 0.65 PARP1 (0.48) ALDH1A1MAPTMEN1KMT2APOLB

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
US-5308754-A Terbium compounds KANKARE JOUKO J 1994-05-03 US disclosed