SCHEMBL8764405

SCHEMBL8764405

CC(=NO)C(C)(C)NCCCNC(C)(C)C(Cn1cnc([N+](=O)[O-])c1)=NO

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.33
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 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
SCHEMBL8763305 0.90 L3MBTL1 (0.39) TAAR1L3MBTL1ALDH1A1MEN1GAA
SCHEMBL11244708 0.79 L3MBTL1 (0.49) TAAR1L3MBTL1ALDH1A1MEN1GAA
SCHEMBL11244694 0.79 L3MBTL1 (0.49) TAAR1L3MBTL1ALDH1A1MEN1GAA
SCHEMBL6131612 0.79 TAAR1 (0.47) TAAR1L3MBTL1ALDH1A1MEN1GAA
SCHEMBL8764258 0.77 LMNA (0.45) KMT2ALMNA
SCHEMBL11250524 0.75 L3MBTL1 (0.48) TAAR1L3MBTL1ALDH1A1MEN1GAA
SCHEMBL11243736 0.75 L3MBTL1 (0.45) TAAR1L3MBTL1ALDH1A1MEN1GAA
SCHEMBL11250522 0.75 L3MBTL1 (0.48) TAAR1L3MBTL1ALDH1A1MEN1GAA
SCHEMBL11243733 0.75 L3MBTL1 (0.45) TAAR1L3MBTL1ALDH1A1MEN1GAA
SCHEMBL11240659 0.73 L3MBTL1 (0.44) TAAR1L3MBTL1ALDH1A1MEN1GAA

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