SCHEMBL22685181

SCHEMBL22685181

Nc1cc(Cl)cnc1-c1ccc(C2(NC(=O)c3ccc(Cl)cc3)CC2)nc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.41
F10 P00742 3/20 0.39
MAP4K4 O95819 3/20 0.39
DEGS1 O15121 1/20 0.38
WDR91 A4D1P6 2/20 0.38
MALT1 Q9UDY8 1/20 0.37
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NPC1 O15118 1/20 0.34

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 0.87 WDR91 (0.45) F10MAP4K4DEGS1WDR91MALT1
SCHEMBL22685177 0.79 IDO1 (0.42) IDO1F10MAP4K4DEGS1WDR91
SCHEMBL22685263 0.78 HDAC3 (0.44) F10MAP4K4DEGS1WDR91MALT1
SCHEMBL22657416 0.78 HDAC1 (0.41) MALT1HDAC3HDAC1HDAC2HDAC6
SCHEMBL22685183 0.76 MALT1 (0.44) DEGS1WDR91MALT1HDAC3HDAC1
SCHEMBL22685339 0.76 WDR91 (0.41) DEGS1WDR91MALT1HDAC3HDAC1
SCHEMBL22657408 0.76 MALT1 (0.45) WDR91MALT1HDAC3HDAC1HDAC2
SCHEMBL22685203 0.75 PDE2A (0.47) HDAC3HDAC1HDAC2HDAC6
SCHEMBL22685345 0.73 PDE2A (0.44) WDR91MALT1HDAC3HDAC1HDAC2
SCHEMBL22684761 0.70 HDAC1 (0.44) IDO1MALT1HDAC3HDAC1HDAC2

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