SCHEMBL6658355

SCHEMBL6658355

O=[N+]([O-])c1cc[n+]([O-])c(NCCOCCOc2cccc(-c3ccccc3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
LTA4H P09960 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL6662302 0.92 MAPT (0.46) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL6660189 0.91 DRD2 (0.46) ALOX5KMT2AMEN1ALDH1A1MAPT
SCHEMBL6658434 0.87 MEN1 (0.42) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL6657379 0.87 MAPT (0.53) ALOX5KMT2AMEN1ALDH1A1MAPT
SCHEMBL6658616 0.87 MEN1 (0.51) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL6664855 0.84 MAOB (0.52) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL6656945 0.83 MEN1 (0.48) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL6656820 0.82 DRD2 (0.54) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL6661644 0.81 DRD2 (0.50) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL6658201 0.79 NCF1 (0.38) ALOX5KMT2AALDH1A1MAPTLMNA

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