SCHEMBL7703280

SCHEMBL7703280

O=[N+]([O-])c1ccc(-c2ccc3cc4ccc(-c5ccc([N+](=O)[O-])cc5)cc4cc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
APP P05067 2/20 0.48
MAPT P10636 4/20 0.47
LMNA P02545 3/20 0.47
POLB P06746 2/20 0.46
MAPK1 P28482 1/20 0.46
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
ALDH1A1 P00352 3/20 0.45
ACHE P22303 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 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
SCHEMBL6537224 0.88 CA1 (0.53) CA12CA1CA2CA9CA14
SCHEMBL30317870 0.88 CA1 (0.53) CA12CA1CA2CA9CA14
SCHEMBL2800816 0.85 ESR1 (0.62) CA12CA9MAPTLMNAPOLB
SCHEMBL28338203 0.82 TSHR (0.54) MAPTLMNAPOLBMAPK1ALDH1A1
SCHEMBL28198 0.82 CA1 (0.67) CA12CA1CA2CA9CA14
SCHEMBL6423919 0.82 CA1 (0.67) CA12CA1CA2CA9CA14
SCHEMBL9321465 0.80 CA1 (0.59) CA12CA1CA2CA9CA14
Water SCHEMBL28670631 0.79 CA1 (0.64) CA12CA1CA2CA9CA14
SCHEMBL24726634 0.77 APP (0.47) CA12CA1CA2CA9CA14
SCHEMBL28122579 0.77 TSHR (0.59) MAPTLMNAPOLBMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6417178-B1 Amyloid binding nitrogen-linked compounds for the antemortem diagnosis of alzheimer's disease, in vivo imaging and prevention of amyloid deposits UNIVERSITY OF PITTSBURGH 2002-07-09 US disclosed
EP-1110945-A2 Azocompounds for the antemortem diagnosis of Alzheimer's disease and in vivo imaging and prevention of amyloid deposition UNIVERSITY OF PITTSBURGH (US) 2001-06-27 EP disclosed
WO-1999024394-A9 COMPOUNDS FOR THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIV PITTSBURGH (US) 2001-05-31 WO disclosed
EP-1028941-A2 COMPOUNDS FOR THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH (US) 2000-08-23 EP disclosed
WO-1999024394-A2 COMPOUNDS FOR THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH (US) 1999-05-20 WO disclosed
EP-0823894-A1 AZOCOMPOUNDS FOR THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH (US) 1998-02-18 EP disclosed
WO-1996034853-A1 AZOCOMPOUNDS FOR THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH (US) 1996-11-07 WO disclosed