SCHEMBL7708976

SCHEMBL7708976

COC(=O)c1cc(N=Nc2ccc(-c3ccc(N=Nc4ccc(O)c(C(=O)OC)c4)cc3)cc2)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
TDP1 Q9NUW8 2/20 0.66
APP P05067 1/20 0.66
THRB P10828 1/20 0.66
RECQL P46063 1/20 0.66
BLM P54132 1/20 0.66
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA7 P43166 2/20 0.57
CA9 Q16790 2/20 0.57
CA14 Q9ULX7 2/20 0.57
PDE4A P27815 1/20 0.54
BLVRB P30043 1/20 0.54
KDR P35968 1/20 0.54
HTT P42858 1/20 0.54
PTGS2 P35354 3/20 0.50
PTGS1 P23219 2/20 0.50
TSHR P16473 2/20 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
SCHEMBL7708973 1.00 MEN1 (0.66) MEN1KMT2ATDP1APPTHRB
SCHEMBL5830402 0.93 CA12 (0.65) MEN1KMT2ATDP1APPTHRB
SCHEMBL10528243 0.90 CA12 (0.67) MEN1KMT2ATDP1APPTHRB
SCHEMBL18270511 0.88 CA1 (0.54) MEN1KMT2ATDP1APPTHRB
SCHEMBL7708868 0.87 MEN1 (0.51) MEN1KMT2ATDP1APPTHRB
SCHEMBL7708870 0.87 MEN1 (0.51) MEN1KMT2ATDP1APPTHRB
Potassium Ion SCHEMBL11747963 0.83 PTGS2 (0.56) MEN1KMT2ATDP1APPTHRB
SCHEMBL11745347 0.83 PTGS2 (0.56) MEN1KMT2ATDP1APPTHRB
SCHEMBL11747967 0.83 PHLPP2 (0.62) MEN1KMT2ATDP1APPTHRB
Potassium Ion SCHEMBL11747949 0.83 PTGS2 (0.56) MEN1KMT2ATDP1APPTHRB

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
US-6168776-B1 Alkyl, alkenyl and alkynyl Chrysamine G derivatives for the antemortem diagnosis of Alzheimer's disease and in vivo imaging and prevention of amyloid deposition UNIVERSITY OF PITTSBURGH 2001-01-02 US disclosed
US-6133259-A DIAGNOSIS OF ALZHEIMER'S DISEASE UNIVERSITY OF PITTSBURGH (US) 2000-10-17 US disclosed
US-6114175-A AMYLOID-BINDING COMPOUNDS WHICH ARE NON-AZO DERIVATIVES OF CHRYSAMINE G TO DETERMINE DEGREE OF BRAIN DEPOSITS QUANTITATIVELY CHARACTERIZED BY AMYLOIDOSIS; DOWN'S SYNDROME; PREVENT CELL DEGENERATION; RADIOACTIVE IMAGING UNIVERSITY OF PITTSBURGH (US) 2000-09-05 US disclosed