SCHEMBL7703302

SCHEMBL7703302

O=[N+]([O-])c1ccc2c(c1)oc1cc([N+](=O)[O-])ccc12

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.82
KMT2A Q03164 3/20 0.82
MAPT P10636 2/20 0.82
TSHR P16473 2/20 0.48
LMNA P02545 2/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
PSMB8 P28062 1/20 0.47
DAO P14920 1/20 0.47
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
HSD17B10 Q99714 1/20 0.47
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTPRC P08575 1/20 0.45
S100A4 P26447 1/20 0.45

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
Dibenzofuran SCHEMBL28066911 0.91 MEN1 (1.00) MEN1KMT2AMAPTTSHRLMNA
SCHEMBL483262 0.91 MEN1 (1.00) MEN1KMT2AMAPTTSHRLMNA
SCHEMBL5332842 0.85 MAPT (0.63) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL3072969 0.85 MEN1 (0.67) MEN1KMT2AMAPTPSMB8CA12
SCHEMBL3955123 0.85 MEN1 (0.67) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL31692790 0.85 MAPT (0.62) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL4013159 0.85 KMT2A (0.62) MEN1KMT2AMAPTCYP11B1CYP11B2
SCHEMBL9186989 0.82 MEN1 (0.84) MEN1KMT2AMAPTLMNACYP11B1
SCHEMBL2990038 0.82 MAPT (0.73) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL28052005 0.81 MEN1 (0.58) MEN1KMT2AMAPTTSHRALDH1A1

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