SCHEMBL8054760

SCHEMBL8054760

COc1ccc(CN2C(=O)c3ccncc3C2=O)cc1-c1cccc(NO)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC7 Q8WUI4 2/20 0.55
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ PDE4B Q07343 3/20 0.47
▸ HTT P42858 1/20 0.46
▸ POLB P06746 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ MAPT P10636 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40

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
SCHEMBL8066070 0.89 HTT (0.57) HDAC7KMT2ATSHRLMNAKDM4E
SCHEMBL15906189 0.86 KMT2A (0.55) HDAC7MEN1KMT2ATSHRLMNA
SCHEMBL8065440 0.84 RXFP1 (0.57) HDAC7MEN1KMT2APOLBRXFP1
SCHEMBL3806916 0.82 MEN1 (0.50) HDAC7MEN1KMT2ATSHRLMNA
SCHEMBL8068535 0.81 HDAC7 (0.49) HDAC7MEN1KMT2APDE4BHTT
SCHEMBL8071515 0.79 HDAC7 (0.45) HDAC7KMT2APDE4BHTTHDAC2
SCHEMBL8066228 0.78 HTT (0.48) TSHRCYP1A2CYP3A4HPGDHTT
SCHEMBL8053373 0.76 POLB (0.46) MEN1KMT2ACYP2C19PDE4BPOLB
SCHEMBL8064800 0.76 HTT (0.52) MEN1KMT2ATSHRGAAPDE4B
SCHEMBL8064712 0.75 PDE4B (0.45) PDE4B

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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