SCHEMBL6582079

SCHEMBL6582079

O=[N+]([O-])c1ccc(-c2nc(O)no2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.61
RAB9A P51151 5/20 0.61
NPC1 O15118 4/20 0.61
CHRNB2 P17787 1/20 0.56
CHRNA5 P30532 1/20 0.56
CHRNA4 P43681 1/20 0.56
CASP3 P42574 1/20 0.48
MMP2 P08253 3/20 0.48
MMP9 P14780 3/20 0.48
MMP8 P22894 3/20 0.48
MMP13 P45452 3/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
NOTUM Q6P988 1/20 0.46
AHR P35869 1/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL5330904 0.80 MAPT (0.61) MAPTRAB9ANPC1CHRNB2CHRNA5
SCHEMBL8825635 0.80 NOTUM (0.60) MAPTRAB9ANPC1CHRNB2CHRNA5
SCHEMBL8825392 0.78 MAPT (0.58) MAPTRAB9ANPC1CHRNB2CHRNA5
SCHEMBL16592426 0.78 NPC1 (0.76) MAPTRAB9ANPC1CHRNB2CHRNA5
SCHEMBL11715801 0.78 NPC1 (0.76) MAPTRAB9ANPC1CHRNB2CHRNA5
SCHEMBL12797808 0.77 NPC1 (0.70) MAPTRAB9ANPC1CHRNB2CHRNA5
SCHEMBL8657046 0.76 MAPT (0.57) MAPTRAB9ANPC1CHRNB2CHRNA5
SCHEMBL7566386 0.76 MAPT (0.57) MAPTRAB9ANPC1CHRNB2CHRNA5
SCHEMBL27412663 0.76 NPC1 (0.74) MAPTRAB9ANPC1CHRNB2CHRNA5
SCHEMBL16592590 0.76 NPC1 (0.74) MAPTRAB9ANPC1CHRNB2CHRNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0737680-B1 (Phenylalkylaminoalkyloxyl)-hetero-aryl compounds, processes and intermediates for their preparation and medicaments containing these compounds SOLVAY PHARM GMBH (DE) 2004-03-03 EP disclosed
EP-0737680-A1 (Phenylalkylaminoalkyloxyl)-hetero-aryl compounds, processes and intermediates for their preparation and medicaments containing these compounds Kali-Chemie Pharma GmbH (DE) 1996-10-16 EP disclosed