SCHEMBL22686791

SCHEMBL22686791

Cc1ccc(-c2ccc(C3(NC(=O)c4ccc(Cl)cc4)CC3)cc2)c(N)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
WDR91 A4D1P6 7/20 0.44
CXCR3 P49682 2/20 0.40
GRM5 P41594 1/20 0.39
MAP4K4 O95819 2/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
AKT1 P31749 1/20 0.38
HSD11B1 P28845 2/20 0.38
IDO1 P14902 1/20 0.37
BTK Q06187 1/20 0.37
ABL1 P00519 1/20 0.37
MAPK8 P45983 1/20 0.37

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
SCHEMBL22686783 0.86 WDR91 (0.42) WDR91CXCR3MAP4K4HDAC3HDAC1
SCHEMBL22686788 0.82 HDAC3 (0.46) WDR91CXCR3MAP4K4HDAC3HDAC1
SCHEMBL22685324 0.82 WDR91 (0.40) WDR91CXCR3HDAC3HDAC1HDAC2
SCHEMBL22686789 0.81 WDR91 (0.43) WDR91CXCR3MAP4K4HDAC3HDAC1
SCHEMBL22685173 0.81 IDO1 (0.42) WDR91CXCR3MAP4K4HSD11B1IDO1
SCHEMBL22685237 0.79 BTK (0.41) WDR91CXCR3MAP4K4HDAC3HDAC1
SCHEMBL22684825 0.78 WDR91 (0.48) WDR91CXCR3MAP4K4HDAC3HDAC1
SCHEMBL22685238 0.77 HDAC3 (0.47) WDR91CXCR3HDAC3HDAC1HDAC2
SCHEMBL22685171 0.75 WDR91 (0.43) WDR91CXCR3HDAC3HDAC1HDAC2
SCHEMBL20898400 0.72 WDR91 (0.54) WDR91CXCR3HDAC3HDAC1HDAC2

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