SCHEMBL8068535

SCHEMBL8068535

COc1ccc(CN2C(=O)CCC2=O)cc1-c1cccc(NO)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC7 Q8WUI4 1/20 0.49
KMT2A Q03164 2/20 0.44
PDE4B Q07343 5/20 0.44
ALDH1A1 P00352 1/20 0.44
PDE4D Q08499 1/20 0.43
HTT P42858 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
GRM2 Q14416 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
CHRM3 P20309 2/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL8071515 0.96 HDAC7 (0.45) HDAC7KMT2APDE4BALDH1A1PDE4D
SCHEMBL8066070 0.87 HTT (0.57) HDAC7KMT2AHTTHDAC4HDAC2
SCHEMBL8064986 0.86 PDE4B (0.44) KMT2APDE4BPDE4DMEN1
SCHEMBL7918270 0.86 PDE4B (0.44) KMT2APDE4BPDE4DMEN1
SCHEMBL15906134 0.84 KMT2A (0.48) HDAC7KMT2APDE4BALDH1A1PTGDR2
SCHEMBL13578437 0.82 KMT2A (0.44) HDAC7KMT2APDE4BALDH1A1PDE4D
SCHEMBL8066228 0.82 HTT (0.48) ALDH1A1HTTCHRM3
SCHEMBL8058230 0.82 HCRTR2 (0.45)
SCHEMBL8071983 0.82 HCRTR2 (0.45)
SCHEMBL8053373 0.82 POLB (0.46) KMT2APDE4BALDH1A1PDE4DHDAC4

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