SCHEMBL8024587

SCHEMBL8024587

COc1ccc(C(=O)c2ccc(NO)cc2)cc1-c1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.55
HDAC8 Q9BY41 2/20 0.46
RORC P51449 2/20 0.45
RORB Q92753 2/20 0.45
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
PDE4B Q07343 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43

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
SCHEMBL16158860 0.86 RORC (0.50) PDE4DHDAC8RORCRORBHSP90AA1
SCHEMBL3467803 0.85 PDE4D (0.52) PDE4DRORCRORBHSP90AA1HSP90AB1
SCHEMBL3467270 0.84 PDE4D (0.54) PDE4DHDAC8HSP90AA1HSP90AB1MEN1
SCHEMBL8030382 0.84 PDE4D (0.62) PDE4DHDAC8RORCRORBHSP90AA1
SCHEMBL8069704 0.83 PDE4D (0.54) PDE4DRORCRORBPDE4BMEN1
SCHEMBL3467022 0.81 MAPT (0.49) PDE4DRORCRORBMEN1KMT2A
SCHEMBL6246669 0.81 PDE4D (0.54) PDE4DRORCRORBHSP90AA1HSP90AB1
SCHEMBL16712924 0.81 PDE4D (0.54) PDE4DHDAC8RORCRORBHSP90AA1
SCHEMBL8064607 0.80 PDE4D (0.76) PDE4DPDE4BMEN1KMT2AHPGD
SCHEMBL8055713 0.79 HDAC8 (0.44) PDE4DHDAC8RORCRORBMEN1

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 2 patents. 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
WO-2009067621-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed