SCHEMBL8067030

SCHEMBL8067030

COc1ccc(CN)cc1-c1cccc(NO)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 2/20 0.49
▸ PDE4B Q07343 5/20 0.46
▸ HDAC4 P56524 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HTR7 P34969 3/20 0.41
▸ KLKB1 P03952 1/20 0.40
▸ GABRA1 P14867 2/20 0.39
▸ GABRB2 P47870 2/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ ADRB3 P13945 1/20 0.39
▸ CFD P00746 1/20 0.39
▸ FFAR1 O14842 1/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 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
SCHEMBL8066338 0.94 PDE4D (0.53) PDE4DPDE4BHDAC4HDAC2HDAC8
SCHEMBL8066925 0.87 PDE4D (0.48) PDE4DPDE4BHDAC4HDAC2HDAC8
SCHEMBL8066867 0.86 PDE4B (0.46) PDE4DPDE4BHDAC4HDAC2HDAC8
SCHEMBL8014205 0.86 PDE4B (0.46) PDE4DPDE4BHDAC4HDAC2HDAC8
SCHEMBL8066487 0.85 PDE4D (0.41) PDE4DPDE4BHDAC4HDAC2HDAC8
SCHEMBL8067827 0.83 GAA (0.51) PDE4DPDE4BFFAR1MEN1ALDH1A1
SCHEMBL8071940 0.82 PDE4D (0.51) PDE4DPDE4BHDAC4HDAC2HDAC8
SCHEMBL8066904 0.82 PDE4D (0.54) PDE4DPDE4BHDAC4HDAC2HDAC8
SCHEMBL8065375 0.80 PDE4D (0.47) PDE4DPDE4BHDAC4HDAC2HDAC8
SCHEMBL8065317 0.80 PDE4D (0.47) PDE4DPDE4BHDAC4HDAC2HDAC8

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
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