SCHEMBL8726508

SCHEMBL8726508

O=C(O)c1ccc(O)cc1N=Nc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.76
KMT2A Q03164 7/20 0.76
MAPT P10636 3/20 0.76
IDE P14735 1/20 0.68
NPC1 O15118 1/20 0.52
MYC P01106 1/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
TRPA1 O75762 1/20 0.47
GAA P10253 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
PDE4A P27815 1/20 0.44
BLVRB P30043 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
SCHEMBL8969813 0.88 IDE (0.70) MEN1KMT2AMAPTIDENPC1
SCHEMBL522909 0.86 MEN1 (1.00) MEN1KMT2AMAPTIDENPC1
SCHEMBL988011 0.86 MEN1 (1.00) MEN1KMT2AMAPTIDENPC1
SCHEMBL28968873 0.83 TRPA1 (0.61) MEN1KMT2AMAPTIDENPC1
SCHEMBL7155934 0.81 TDP1 (0.56) MEN1KMT2AMAPTIDENPC1
SCHEMBL453285 0.81 IDE (1.00) MEN1KMT2AMAPTIDENPC1
SCHEMBL453284 0.81 IDE (1.00) MEN1KMT2AMAPTIDENPC1
SCHEMBL12100493 0.81 IDE (1.00) MEN1KMT2AMAPTIDENPC1
SCHEMBL29401042 0.81 IDE (1.00) MEN1KMT2AMAPTIDENPC1
SCHEMBL623529 0.80 MEN1 (0.70) MEN1KMT2AMAPTIDENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763191-A BINDING MATRIX BOEHRINGER MANNHEIM GMBH (DE) 1998-06-09 US disclosed