SCHEMBL22685263

SCHEMBL22685263

Nc1cc(Br)cnc1-c1ccc(C2(NC(=O)c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
WDR91 A4D1P6 5/20 0.43
CXCR3 P49682 2/20 0.41
AKT1 P31749 2/20 0.41
MALT1 Q9UDY8 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK1 P28482 1/20 0.37
DEGS1 O15121 1/20 0.37
F10 P00742 1/20 0.37
MAP4K4 O95819 2/20 0.36
CNR2 P34972 1/20 0.36

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 0.90 WDR91 (0.45) HDAC3HDAC1HDAC2HDAC6WDR91
SCHEMBL22685369 0.87 HDAC1 (0.43) HDAC3HDAC1HDAC2HDAC6AKT1
SCHEMBL22685339 0.87 WDR91 (0.41) HDAC3HDAC1HDAC2HDAC6WDR91
SCHEMBL22685183 0.85 MALT1 (0.44) HDAC3HDAC1HDAC2HDAC6WDR91
SCHEMBL22657408 0.85 MALT1 (0.45) HDAC3HDAC1HDAC2HDAC6WDR91
SCHEMBL22685345 0.82 PDE2A (0.44) HDAC3HDAC1HDAC2HDAC6WDR91
SCHEMBL22686817 0.81 PDE2A (0.46) HDAC3HDAC1HDAC2HDAC6WDR91
SCHEMBL22684761 0.80 HDAC1 (0.44) HDAC3HDAC1HDAC2HDAC6MALT1
SCHEMBL22685181 0.78 IDO1 (0.41) HDAC3HDAC1HDAC2HDAC6WDR91
SCHEMBL22438959 0.78 WDR91 (0.57) HDAC3HDAC1HDAC2HDAC6WDR91

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