SCHEMBL8064712

SCHEMBL8064712

COc1ccc(Cn2cncc2CO)cc1-c1cccc(NO)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 5/20 0.45
▸ FNTA P49354 5/20 0.43
▸ FNTB P49356 5/20 0.43
▸ PGGT1B P53609 4/20 0.42
▸ CYP11B1 P15538 4/20 0.41
▸ CYP11B2 P19099 4/20 0.41
▸ CTSA P10619 1/20 0.39
▸ PDE4D Q08499 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
SCHEMBL8066564 0.85 CYP11B1 (0.49) PDE4BFNTAFNTBPGGT1BCYP11B1
SCHEMBL3795724 0.81 FNTA (0.50) PDE4BFNTAFNTBPGGT1BPDE4D
SCHEMBL7904659 0.79 CYP19A1 (0.47) PDE4B
SCHEMBL8069986 0.79 PDE4B (0.42) PDE4BFNTAFNTBCTSAPDE4D
SCHEMBL7913026 0.77 PDE4B (0.43) PDE4BPDE4D
SCHEMBL8064800 0.76 HTT (0.52) PDE4BPDE4D
SCHEMBL8054760 0.75 HDAC7 (0.55) PDE4B
SCHEMBL8014205 0.75 PDE4B (0.46) PDE4BCTSAPDE4D
SCHEMBL8067030 0.75 PDE4D (0.49) PDE4BPDE4D
SCHEMBL8066867 0.75 PDE4B (0.46) PDE4BCTSAPDE4D

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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