SCHEMBL4552415

SCHEMBL4552415

O=C(O)C[Gd]N1CCN(Cc2cccc(C(=O)O)c2)CCN([Gd]CC(=O)O)CCN([Gd]CC(=O)O)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
HIF1A Q16665 1/20 0.66
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 2/20 0.50
FAAH O00519 1/20 0.50
MGLL Q99685 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LTA4H P09960 1/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
GAA P10253 1/20 0.49
KDM1A O60341 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
HDAC1 Q13547 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL21044020 0.83 CYP2D6 (0.73) CYP2D6CYP2C9HIF1AKMT2ALMNA
SCHEMBL30218451 0.83 CYP2D6 (0.73) CYP2D6CYP2C9HIF1AKMT2ALMNA
SCHEMBL4552407 0.82 CYP2D6 (0.71) CYP2D6CYP2C9HIF1AKMT2ALMNA
SCHEMBL4551096 0.82 SIGMAR1 (0.68) CYP2D6KMT2ALMNASMN1; SMN2MEN1
SCHEMBL11369241 0.81 CYP2D6 (0.97) CYP2D6CYP2C9HIF1AKMT2ALMNA
SCHEMBL29631127 0.81 CYP2D6 (0.97) CYP2D6CYP2C9HIF1AKMT2ALMNA
SCHEMBL5308507 0.81 CYP2D6 (0.69) CYP2D6CYP2C9HIF1AKMT2ALMNA
SCHEMBL4838001 0.80 CYP2D6 (0.73) CYP2D6CYP2C9HIF1AKMT2ALMNA
SCHEMBL31721203 0.80 CYP2D6 (0.73) CYP2D6CYP2C9HIF1AKMT2ALMNA
SCHEMBL21319459 0.80 CYP2D6 (0.73) CYP2D6CYP2C9HIF1AKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608249-B2 Enhanced substrate imaging by reversible binding to a paramagnetic complex BRACCO IMAGING S.P.A. (IT) 2009-10-27 US disclosed
EP-1434768-B1 ENHANCED SUBSTRATE IMAGING BY REVERSIBLE BINDING TO A PARAMAGNETIC COMPLEX BRACCO IMAGING SPA (IT) 2009-08-12 EP disclosed
US-20040258618-A1 Enhanced substrate imaging by reversible binding to a paramagnetic complex BRACCO IMAGING S.P.A. (IT) 2004-12-23 US disclosed
EP-1434768-A1 ENHANCED SUBSTRATE IMAGING BY REVERSIBLE BINDING TO A PARAMAGNETIC COMPLEX Bracco Imaging S.p.A. (IT) 2004-07-07 EP disclosed
WO-2003033479-A1 ENHANCED SUBSTRATE IMAGING BY REVERSIBLE BINDING TO A PARAMAGNETIC COMPLEX BRACCO IMAGING S.P.A. (IT) 2003-04-24 WO disclosed