SCHEMBL5314455

SCHEMBL5314455

CC(=O)C(C)(C)NCCONC(C)(C)C(=O)COCC(O)Cn1ccnc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
OPRK1 P41145 1/20 0.34
CA12 O43570 5/20 0.33
CA1 P00915 5/20 0.33
CA2 P00918 5/20 0.33
CA9 Q16790 5/20 0.33
MEN1 O00255 2/20 0.32
HPGD P15428 1/20 0.31
TYMP P19971 1/20 0.30

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
SCHEMBL6131616 0.89 KMT2A (0.47) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL8741620 0.87 KMT2A (0.42) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL8719474 0.86 KMT2A (0.44) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL5316301 0.84 KMT2A (0.41) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL5311404 0.83 LMNA (0.47) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL5313431 0.82 CA12 (0.42) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL5312522 0.80 LMNA (0.47) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL5313438 0.79 LMNA (0.53) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL5318006 0.78 KMT2A (0.40) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL5311293 0.78 CA12 (0.42) KMT2ALMNATHRBCYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0629617-B2 Heteroatom-bearing ligands and metal complexes thereof BRACCO INT BV (NL) 2007-09-26 EP claimed
EP-0629617-B1 Heteroatom-bearing ligands and metal complexes thereof BRACCO INT BV (NL) 1998-04-29 EP claimed
US-5665329-A Heteroatom-bearing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. 1997-09-09 US claimed
US-5627286-A Heteroatom-bearing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. 1997-05-06 US claimed
EP-0629617-A1 Heteroatom-bearing ligands and metal complexes thereof BRACCO International B.V. (NL) 1994-12-21 EP claimed
EP-0629617-B2 Heteroatom-bearing ligands and metal complexes thereof BRACCO INT BV (NL) 2007-09-26 EP disclosed
EP-0629617-B1 Heteroatom-bearing ligands and metal complexes thereof BRACCO INT BV (NL) 1998-04-29 EP disclosed
US-5665329-A Heteroatom-bearing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. 1997-09-09 US disclosed
US-5656254-A Polyaza heteroatom-bearing ligands and metal complexes thereof for imaging or radiotherapy BRACCO INTERNATIONAL B.V. 1997-08-12 US disclosed
US-5627286-A Heteroatom-bearing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. 1997-05-06 US disclosed
US-5608110-A Heteroatom-bearing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. 1997-03-04 US disclosed
EP-0629617-A1 Heteroatom-bearing ligands and metal complexes thereof BRACCO International B.V. (NL) 1994-12-21 EP disclosed