SCHEMBL8066070

SCHEMBL8066070

COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1-c1cccc(NO)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.57
▸ HDAC1 Q13547 3/20 0.50
▸ HDAC6 Q9UBN7 3/20 0.50
▸ HDAC4 P56524 2/20 0.50
▸ HDAC7 Q8WUI4 2/20 0.50
▸ HDAC8 Q9BY41 2/20 0.50
▸ HDAC9 Q9UKV0 2/20 0.50
▸ HDAC5 Q9UQL6 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ HDAC3 O15379 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CASP3 P42574 1/20 0.44
▸ ABCB1 P08183 1/20 0.44
▸ MAPT P10636 1/20 0.44

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
SCHEMBL8054760 0.89 HDAC7 (0.55) HTTHDAC1HDAC6HDAC4HDAC7
SCHEMBL8066228 0.89 HTT (0.48) HTTTSHRMAPTTDP1
SCHEMBL8065440 0.88 RXFP1 (0.57) HDAC7POLBKMT2ARXFP1
SCHEMBL8068535 0.87 HDAC7 (0.49) HTTHDAC4HDAC7HDAC8HDAC2
SCHEMBL8071515 0.85 HDAC7 (0.45) HTTHDAC4HDAC7HDAC8HDAC2
SCHEMBL15906128 0.84 HTT (0.50) HTTHDAC1HDAC6HDAC4HDAC7
SCHEMBL8033863 0.83 GAA (0.57) HTTHDAC1HDAC6HDAC4HDAC7
SCHEMBL7913026 0.83 PDE4B (0.43) HTTHDAC4HDAC8HDAC2
SCHEMBL8064986 0.80 PDE4B (0.44) HDAC1HDAC6KMT2A
SCHEMBL8053373 0.80 POLB (0.46) HDAC4HDAC8POLBHDAC2KMT2A

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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