SCHEMBL22685183

SCHEMBL22685183

COc1cnc(-c2ccc(C3(NC(=O)c4ccc(Cl)cc4)CC3)cc2)c(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.44
WDR91 A4D1P6 3/20 0.41
ROCK2 O75116 3/20 0.41
ROCK1 Q13464 3/20 0.41
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
OPRD1 P41143 1/20 0.40
KCNH2 Q12809 1/20 0.40
AKT1 P31749 2/20 0.39
BACE1 P56817 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 2/20 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
SCHEMBL22685246 0.88 WDR91 (0.45) MALT1WDR91HDAC3HDAC1HDAC2
SCHEMBL22685345 0.88 PDE2A (0.44) MALT1WDR91HDAC3HDAC1HDAC2
SCHEMBL22686803 0.85 PDE2A (0.47) MALT1ROCK2ROCK1HDAC3HDAC1
SCHEMBL22685187 0.85 PDE2A (0.44) ROCK2ROCK1HDAC3HDAC1HDAC2
SCHEMBL22685263 0.85 HDAC3 (0.44) MALT1WDR91HDAC3HDAC1HDAC2
SCHEMBL22685369 0.84 HDAC1 (0.43) MALT1ROCK2ROCK1HDAC3HDAC1
SCHEMBL22686808 0.84 PDE2A (0.46) MALT1WDR91AKT1
SCHEMBL22657408 0.82 MALT1 (0.45) MALT1WDR91HDAC3HDAC1HDAC2
SCHEMBL22685339 0.82 WDR91 (0.41) MALT1WDR91HDAC3HDAC1HDAC2
SCHEMBL22684815 0.82 LRRK2 (0.41) ROCK2ROCK1HDAC3HDAC1HDAC2

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-2020228823-A1 NOVEL AMIDE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2020-11-19 WO disclosed