SCHEMBL5311404

SCHEMBL5311404

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
THRB P10828 1/20 0.47
CYP2C19 P33261 1/20 0.47
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
OPRK1 P41145 1/20 0.42
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
KMT2A Q03164 1/20 0.37
NOS1 P29475 1/20 0.35
TYMP P19971 3/20 0.33
MITF O75030 1/20 0.31

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
SCHEMBL5312522 0.96 LMNA (0.47) LMNATHRBCYP2C19CYP3A4CYP2D6
SCHEMBL5313364 0.92 LMNA (0.46) LMNATHRBCYP2C19CYP3A4CYP2D6
SCHEMBL5313438 0.90 LMNA (0.53) LMNATHRBCYP2C19CYP3A4CYP2D6
SCHEMBL5313431 0.90 CA12 (0.42) LMNATHRBCYP2C19CYP3A4CYP2D6
SCHEMBL8716766 0.88 LMNA (0.44) LMNATHRBCYP2C19CYP3A4CYP2D6
SCHEMBL6131614 0.86 LMNA (0.52) LMNATHRBCYP2C19CYP3A4CYP2D6
SCHEMBL5311293 0.86 CA12 (0.42) LMNATHRBCYP2C19CYP3A4CYP2D6
SCHEMBL5310243 0.85 CA12 (0.43) LMNATHRBCYP2C19CYP3A4CYP2D6
SCHEMBL8478713 0.85 LMNA (0.51) LMNATHRBCYP2C19CYP3A4CYP2D6
SCHEMBL5314455 0.83 KMT2A (0.44) LMNATHRBCYP2C19CYP3A4CYP2D6

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
US-5627286-A Heteroatom-bearing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. 1997-05-06 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
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