SCHEMBL8053373

SCHEMBL8053373

COc1ccc(CN2CCNC2=O)cc1-c1cccc(NO)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PDE4B Q07343 5/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CHRM3 P20309 2/20 0.42
PDE4D Q08499 1/20 0.41
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR7 P34969 2/20 0.38
FAAH O00519 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
GRM2 Q14416 1/20 0.37

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
SCHEMBL8067073 0.86 PDE4B (0.50) PDE4BCHRM3PDE4DHDAC4HDAC2
SCHEMBL7918270 0.85 PDE4B (0.44) MEN1KMT2APDE4BPDE4DL3MBTL1
SCHEMBL8064986 0.85 PDE4B (0.44) MEN1KMT2APDE4BPDE4DL3MBTL1
SCHEMBL13578435 0.83 POLB (0.46) POLBMEN1KMT2APDE4BMAPT
SCHEMBL8068535 0.82 HDAC7 (0.49) MEN1KMT2APDE4BCHRM3PDE4D
SCHEMBL8066164 0.81 PDE4B (0.44) POLBMEN1KMT2APDE4BMAPT
SCHEMBL8066233 0.81 PDE4B (0.41) POLBPDE4BMAPTPDE4DHDAC4
SCHEMBL8070006 0.81 PDE4B (0.41) POLBPDE4BMAPTPDE4DHDAC4
SCHEMBL3798699 0.80 MEN1 (0.46) POLBMEN1KMT2APDE4BMAPT
SCHEMBL8071515 0.80 HDAC7 (0.45) KMT2APDE4BPDE4DHDAC4HDAC2

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