SCHEMBL8064800

SCHEMBL8064800

COc1ccc(Cn2cccn2)cc1-c1cccc(NO)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
USP2 O75604 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 1/20 0.48
PDE4B Q07343 7/20 0.45
KAT7 O95251 5/20 0.43
KAT6A Q92794 5/20 0.43
KAT6B Q8WYB5 3/20 0.43
KAT5 Q92993 2/20 0.43
KAT8 Q9H7Z6 2/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PDE4D Q08499 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7904659 0.84 CYP19A1 (0.47) PDE4BHDAC1HDAC6
SCHEMBL7913026 0.80 PDE4B (0.43) HTTPDE4BPDE4D
SCHEMBL4319471 0.79 PDE4B (0.47) HTTUSP2GAAMAPTMEN1
SCHEMBL8014205 0.78 PDE4B (0.46) HTTMAPTMEN1KMT2ATSHR
SCHEMBL8067030 0.78 PDE4D (0.49) HTTMAPTMEN1KMT2ATSHR
SCHEMBL8066867 0.78 PDE4B (0.46) HTTUSP2MAPTMEN1KMT2A
SCHEMBL8066070 0.77 HTT (0.57) HTTUSP2MAPTKMT2ATSHR
SCHEMBL8068535 0.77 HDAC7 (0.49) HTTMEN1KMT2APDE4BALDH1A1
SCHEMBL8053373 0.77 POLB (0.46) MAPTMEN1KMT2APDE4BALDH1A1
SCHEMBL8067341 0.76 HTR1A (0.42) MAPTPDE4BALDH1A1PDE4D

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
WO-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed