SCHEMBL1383233

SCHEMBL1383233

COc1cccc(CN2CCN(CC(N)=O)CCN(CC(N)=O)CCN(CC(N)=O)CC2)c1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.68
ALDH1A1 P00352 6/20 0.62
KDM4E B2RXH2 5/20 0.62
GAA P10253 3/20 0.61
TSHR P16473 1/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
ATM Q13315 1/20 0.61
FAAH O00519 2/20 0.60
MAPT P10636 2/20 0.59
LMNA P02545 2/20 0.59
RECQL P46063 1/20 0.59

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
SCHEMBL27615815 1.00 SIGMAR1 (0.68) SIGMAR1ALDH1A1KDM4EGAATSHR
SCHEMBL4413334 0.88 SIGMAR1 (0.74) SIGMAR1ALDH1A1KDM4EGAATSHR
SCHEMBL4551093 0.86 SIGMAR1 (0.72) SIGMAR1ALDH1A1KDM4EGAATSHR
SCHEMBL20804357 0.85 SIGMAR1 (0.90) SIGMAR1ALDH1A1KDM4EGAATSHR
SCHEMBL28186295 0.85 SIGMAR1 (0.90) SIGMAR1ALDH1A1KDM4EGAATSHR
SCHEMBL4551095 0.85 SIGMAR1 (0.66) SIGMAR1ALDH1A1KDM4EGAATSHR
SCHEMBL4553118 0.85 SIGMAR1 (0.61) SIGMAR1ALDH1A1KDM4EGAATSHR
SCHEMBL10071056 0.83 SIGMAR1 (0.62) SIGMAR1ALDH1A1MEN1KMT2AFAAH
SCHEMBL19049381 0.82 ALDH1A1 (0.71) SIGMAR1ALDH1A1KDM4EGAAMEN1
SCHEMBL2931334 0.82 SIGMAR1 (0.74) SIGMAR1ALDH1A1KDM4EGAAMEN1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4817600-B2 2011-11-16 JP claimed
US-7608249-B2 Enhanced substrate imaging by reversible binding to a paramagnetic complex BRACCO IMAGING S.P.A. (IT) 2009-10-27 US claimed
EP-1434768-B1 ENHANCED SUBSTRATE IMAGING BY REVERSIBLE BINDING TO A PARAMAGNETIC COMPLEX BRACCO IMAGING SPA (IT) 2009-08-12 EP claimed
US-20040258618-A1 Enhanced substrate imaging by reversible binding to a paramagnetic complex BRACCO IMAGING S.P.A. (IT) 2004-12-23 US claimed
EP-1434768-A1 ENHANCED SUBSTRATE IMAGING BY REVERSIBLE BINDING TO A PARAMAGNETIC COMPLEX Bracco Imaging S.p.A. (IT) 2004-07-07 EP claimed
EP-1331012-A1 Responsive paramagnetic MRI contrast agents BRACCO IMAGING S.p.A. (IT) 2003-07-30 EP claimed
WO-2003033479-A1 ENHANCED SUBSTRATE IMAGING BY REVERSIBLE BINDING TO A PARAMAGNETIC COMPLEX BRACCO IMAGING S.P.A. (IT) 2003-04-24 WO claimed
EP-1302465-A1 Enhanced substrate imaging by reversible binding to a paramagnetic complex BRACCO IMAGING S.p.A. (IT) 2003-04-16 EP claimed
US-8318134-B2 Responsive paramagnetic MRI contrast agents BRACCO IMAGING S.P.A. (IT) 2012-11-27 US disclosed
US-8318134-B2 Responsive paramagnetic MRI contrast agents BRACCO IMAGING S.P.A. (IT) 2012-11-27 US disclosed
EP-1469890-B1 RESPONSIVE PARAMAGNETIC MRI CONTRAST AGENTS BRACCO IMAGING SPA (IT) 2011-08-10 EP disclosed
EP-2298362-A1 Responsive paramagnetic MRI contrast agents Bracco Imaging S.p.A (IT) 2011-03-23 EP disclosed
US-7608249-B2 Enhanced substrate imaging by reversible binding to a paramagnetic complex BRACCO IMAGING S.P.A. (IT) 2009-10-27 US disclosed
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-1469890-A1 RESPONSIVE PARAMAGNETIC MRI CONTRAST AGENTS Bracco Imaging S.p.A. (IT) 2004-10-27 EP 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-2003063912-A1 RESPONSIVE PARAMAGNETIC MRI CONTRAST AGENTS BRACCO IMAGING S.P.A. (IT) 2003-08-07 WO disclosed
EP-1331012-A1 Responsive paramagnetic MRI contrast agents BRACCO IMAGING S.p.A. (IT) 2003-07-30 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
EP-1302465-A1 Enhanced substrate imaging by reversible binding to a paramagnetic complex BRACCO IMAGING S.p.A. (IT) 2003-04-16 EP disclosed