SCHEMBL7708920

SCHEMBL7708920

Cn1c2cc([N+](=O)[O-])ccc2c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.67
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
LMNA P02545 3/20 0.49
CYP1A2 P05177 1/20 0.49
TDP1 Q9NUW8 3/20 0.48
TSHR P16473 3/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP19A1 P11511 1/20 0.47
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.46
HTT P42858 1/20 0.46
CYP3A4 P08684 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
CASP1 P29466 1/20 0.45
CASP3 P42574 1/20 0.45
CASP4 P49662 1/20 0.45
CASP7 P55210 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
SCHEMBL18928573 0.91 MAPT (0.82) MAPTMEN1KMT2ALMNATDP1
SCHEMBL155568 0.84 MAPT (0.83) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL30600488 0.84 MAPT (0.83) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL17673673 0.84 MAPT (0.77) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL28297109 0.82 MAPT (0.59) MAPTMEN1KMT2ALMNACYP1A2
Hydrochloric Acid SCHEMBL28297111 0.81 MAPT (0.58) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL150552 0.80 MAPT (1.00) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL13508679 0.80 MAPT (0.47) MAPTMEN1KMT2ACYP1A2TDP1
SCHEMBL7989106 0.80 MAPT (0.47) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL7997074 0.80 MAPT (0.56) MAPTMEN1KMT2ALMNACYP1A2

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 5 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-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