SCHEMBL6066149

SCHEMBL6066149

CC(=O)Oc1cc2c([N+](=O)[O-])cccc2cn1.O=[N+]([O-])c1cccc2cnc(O)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.37
NPC1 O15118 2/20 0.37
TLR9 Q9NR96 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDE10A Q9Y233 1/20 0.35
GPR35 Q9HC97 1/20 0.35
AGTR1 P30556 1/20 0.35
CASP6 P55212 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34

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
SCHEMBL4022164 0.94 ALDH1A1 (0.43) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL6066312 0.87 ALDH1A1 (0.38) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL4023657 0.85 ALDH1A1 (0.51) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL6066151 0.79 ALDH1A1 (0.38) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL4020792 0.73 LMNA (0.39) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL3323199 0.73 CYP1A2 (0.52) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL4027042 0.72 ALDH1A1 (0.46) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL1348958 0.71 ALDH1A1 (0.54) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL8541158 0.71 ALDH1A1 (0.47) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL27817667 0.70 MAPT (0.41) POLBALDH1A1LMNAMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660455-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2006-05-31 EP disclosed
WO-2005016890-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2005-02-24 WO disclosed
EP-1478363-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR Abbott Laboratories (US) 2004-11-24 EP disclosed
WO-2003070247-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2003-08-28 WO disclosed