SCHEMBL8764451

SCHEMBL8764451

CC(=NO)C(C)(C)NCC(O)CNC(C)(C)C(Cn1ccnc1[N+](=O)[O-])=NO

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
OPRK1 P41145 1/20 0.39
CA12 O43570 5/20 0.37
CA1 P00915 5/20 0.37
CA2 P00918 5/20 0.37
CA9 Q16790 5/20 0.37
TYMP P19971 3/20 0.32

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
SCHEMBL8763271 0.90 LMNA (0.42) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL8763244 0.89 LMNA (0.39) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL8764258 0.88 LMNA (0.45) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL8764429 0.86 LMNA (0.41) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL8764414 0.82 LMNA (0.48) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL8764264 0.82 LMNA (0.49) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL5316178 0.82 LMNA (0.41) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL8359968 0.82 LMNA (0.46) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL5310701 0.82 LMNA (0.41) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL5316184 0.82 LMNA (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0544412-B1 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INT BV (NL) 1997-07-23 EP claimed