SCHEMBL8563535

SCHEMBL8563535

CC(COC(O)CC(Cl)n1ccnc1[N+](=O)[O-])C(C)N=O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
CYP2C19 P33261 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
SCHEMBL7459874 0.79 KMT2A (0.38) KMT2ALMNATHRBCYP2C19
SCHEMBL28818918 0.68 KMT2A (0.48) KMT2ALMNATHRBCYP2C19
SCHEMBL9060085 0.67 KMT2A (0.43) KMT2ALMNATHRBCYP2C19
SCHEMBL2360743 0.65 KMT2A (0.43) KMT2ALMNATHRBCYP2C19
SCHEMBL9762548 0.65 KMT2A (0.43) KMT2ALMNATHRBCYP2C19
SCHEMBL10400098 0.64 KMT2A (0.45) KMT2ALMNATHRBCYP2C19
SCHEMBL27795012 0.64 KMT2A (0.44) KMT2ALMNATHRBCYP2C19
SCHEMBL3131540 0.63 KMT2A (0.41) KMT2ALMNATHRBCYP2C19
SCHEMBL4136129 0.62 KMT2A (0.38) KMT2ALMNATHRBCYP2C19
Misonidazole SCHEMBL51943 0.62 KMT2A (0.66) KMT2ALMNATHRBCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808091-A DIAGNOSTIC IMAGING AGENT BRACCO INTERNATIONAL B.V. 1998-09-15 US disclosed
US-5741912-A DIAGNOSIS, THERAPY BRACCO INTERNATIONAL B.V. 1998-04-21 US disclosed
US-5688487-A Diagnostic imaging methods using rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INTERNATIONAL B.V. (NL) 1997-11-18 US disclosed