SCHEMBL6658201

SCHEMBL6658201

O=[N+]([O-])c1cc[n+]([O-])c(NCCOCCOc2ccc3ncccc3c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 4/20 0.38
ALDH1A1 P00352 3/20 0.38
BAZ1A Q9NRL2 1/20 0.36
MCL1 Q07820 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 2/20 0.35
MAPK1 P28482 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 1/20 0.35
RAB9A P51151 2/20 0.35
MIF P14174 1/20 0.34
NPC1 O15118 1/20 0.34
NR2F2 P24468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALOX5 P09917 1/20 0.34
PIN1 Q13526 1/20 0.33

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
SCHEMBL6659184 0.92 ALDH1A1 (0.39) ALDH1A1BAZ1AMCL1HTTMAPK1
SCHEMBL6662302 0.82 MAPT (0.46) ALDH1A1HTTMAPK1LMNAMAPT
SCHEMBL6658616 0.80 MEN1 (0.51) ALDH1A1HTTMAPK1TDP1LMNA
SCHEMBL6657379 0.80 MAPT (0.53) ALDH1A1KDM4EHTTMAPK1LMNA
SCHEMBL6658613 0.79 PPARG (0.46) ALDH1A1MCL1KDM4EHTTMAPK1
SCHEMBL6658355 0.79 ALOX5 (0.41) ALDH1A1KDM4EHTTMAPK1LMNA
SCHEMBL6664855 0.77 MAOB (0.52) ALDH1A1HTTLMNAMAPTKMT2A
SCHEMBL6658434 0.77 MEN1 (0.42) ALDH1A1KDM4EHTTMAPK1LMNA
SCHEMBL6656945 0.77 MEN1 (0.48) ALDH1A1HTTLMNAMAPTKMT2A
SCHEMBL6662202 0.76 MAPT (0.60) ALDH1A1TDP1LMNAMAPTKMT2A

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
WO-2004004715-A2 NOVEL DELTA OPIOID RECEPTOR LIGANDS GLAXOSMITHKLINE SPA (IT) 2004-01-15 WO disclosed