SCHEMBL5311307

SCHEMBL5311307

CCC(=O)C(C)(C)NCC(Cn1ccnc1[N+](=O)[O-])ONC(C)(C)C(=O)CC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
OPRK1 P41145 1/20 0.36
CA12 O43570 5/20 0.35
CA1 P00915 5/20 0.35
CA2 P00918 5/20 0.35
CA9 Q16790 5/20 0.35
TYMP P19971 3/20 0.32
MITF O75030 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
SCHEMBL5314750 0.94 KMT2A (0.38) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL5312475 0.90 KMT2A (0.41) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL5311355 0.89 KMT2A (0.45) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL3843843 0.89 KMT2A (0.45) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL5310582 0.89 KMT2A (0.45) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL5314246 0.87 KMT2A (0.39) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL5315070 0.86 KMT2A (0.37) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL5315303 0.85 KMT2A (0.41) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL5315311 0.85 KMT2A (0.41) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL13647157 0.85 KMT2A (0.43) 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 16 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
CN-1055685-C Heteroatom-bearing ligands and metal complexes thereof BRAKER INTERNAT B V (NL) 2000-08-23 CN 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
CN-1099388-A Heteroatom-bearing ligands and metal complexes thereof BRISTOL MYERS SQIBB COMPANY (US) 1995-03-01 CN 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
CN-1055685-C Heteroatom-bearing ligands and metal complexes thereof BRAKER INTERNAT B V (NL) 2000-08-23 CN disclosed
EP-0629617-B1 Heteroatom-bearing ligands and metal complexes thereof BRACCO INT BV (NL) 1998-04-29 EP disclosed
US-5741912-A DIAGNOSIS, THERAPY BRACCO INTERNATIONAL B.V. 1998-04-21 US 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
CN-1099388-A Heteroatom-bearing ligands and metal complexes thereof BRISTOL MYERS SQIBB COMPANY (US) 1995-03-01 CN disclosed
EP-0629617-A1 Heteroatom-bearing ligands and metal complexes thereof BRACCO International B.V. (NL) 1994-12-21 EP disclosed