SCHEMBL4551096

SCHEMBL4551096

COc1cccc(CN2CCN([Gd]CC(=O)O)CCN([Gd]CC(=O)O)CCN([Gd]CC(=O)O)CC2)c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.68
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
ATM Q13315 1/20 0.62
FAAH O00519 2/20 0.61
KDM4E B2RXH2 7/20 0.60
ALDH1A1 P00352 7/20 0.60
MAPT P10636 2/20 0.60
LMNA P02545 1/20 0.60
RECQL P46063 1/20 0.60
GAA P10253 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL4553118 0.90 SIGMAR1 (0.61) SIGMAR1MEN1KMT2AATMFAAH
SCHEMBL4413334 0.85 SIGMAR1 (0.74) SIGMAR1MEN1KMT2AATMFAAH
SCHEMBL4551093 0.84 SIGMAR1 (0.72) SIGMAR1MEN1KMT2AATMFAAH
SCHEMBL20804357 0.83 SIGMAR1 (0.90) SIGMAR1MEN1KMT2AATMFAAH
SCHEMBL28186295 0.83 SIGMAR1 (0.90) SIGMAR1MEN1KMT2AATMFAAH
SCHEMBL2931334 0.83 SIGMAR1 (0.74) SIGMAR1MEN1KMT2AATMFAAH
SCHEMBL4552415 0.82 CYP2D6 (0.66) MEN1KMT2AFAAHKDM4EALDH1A1
SCHEMBL19049381 0.80 ALDH1A1 (0.71) SIGMAR1MEN1KMT2AATMFAAH
SCHEMBL27615815 0.79 SIGMAR1 (0.68) SIGMAR1MEN1KMT2AATMFAAH
SCHEMBL1383233 0.79 SIGMAR1 (0.68) SIGMAR1MEN1KMT2AATMFAAH

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