SCHEMBL7706101

SCHEMBL7706101

Nc1ccc([N+](=O)[O-])cc1Oc1cccc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
ALDH1A1 P00352 5/20 0.56
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
MAPT P10636 4/20 0.51
LMNA P02545 3/20 0.51
TSHR P16473 2/20 0.50
PDE7A Q13946 1/20 0.49
TDP1 Q9NUW8 3/20 0.49
CYP3A4 P08684 2/20 0.47
KDM4E B2RXH2 2/20 0.47
CHRNA4 P43681 2/20 0.47
MLNR O43193 1/20 0.47
MMP1 P03956 1/20 0.47
MPO P05164 1/20 0.47
CYP1A2 P05177 1/20 0.47
GLA P06280 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL10337291 0.89 ALDH1A1 (0.60) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL10337156 0.89 HTT (0.60) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL10939518 0.84 HTT (0.72) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL8663926 0.83 GAA (0.59) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL11453175 0.83 LMNA (0.57) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL4203388 0.82 TSHR (0.67) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL6273333 0.81 TSHR (0.64) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL30043252 0.81 TSHR (0.64) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL10362242 0.81 MEN1 (0.74) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL9705499 0.80 ALDH1A1 (0.79) HTTALDH1A1MEN1KMT2AMAPT

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 3 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-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