SCHEMBL22685339

SCHEMBL22685339

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WDR91 A4D1P6 6/20 0.41
PDE2A O00408 1/20 0.41
HDAC6 Q9UBN7 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
AKT1 P31749 2/20 0.38
CXCR3 P49682 2/20 0.38
MALT1 Q9UDY8 3/20 0.37
MAPK8 P45983 1/20 0.36
MAPK1 P28482 1/20 0.36
CNR1 P21554 1/20 0.36
DEGS1 O15121 1/20 0.35

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
SCHEMBL22685347 0.91 PDE2A (0.42) PDE2AHDAC6HDAC3HDAC1HDAC2
SCHEMBL22685246 0.88 WDR91 (0.45) WDR91HDAC6HDAC3HDAC1HDAC2
SCHEMBL22685263 0.87 HDAC3 (0.44) WDR91HDAC6HDAC3HDAC1HDAC2
SCHEMBL22685345 0.86 PDE2A (0.44) WDR91PDE2AHDAC6HDAC3HDAC1
SCHEMBL22657408 0.84 MALT1 (0.45) WDR91PDE2AHDAC6HDAC3HDAC1
SCHEMBL22685183 0.82 MALT1 (0.44) WDR91HDAC6HDAC3HDAC1HDAC2
SCHEMBL22686817 0.81 PDE2A (0.46) WDR91PDE2AHDAC6HDAC3HDAC1
SCHEMBL22684761 0.79 HDAC1 (0.44) HDAC6HDAC3HDAC1HDAC2MALT1
SCHEMBL22686808 0.79 PDE2A (0.46) WDR91PDE2AAKT1MALT1
SCHEMBL22685203 0.78 PDE2A (0.47) PDE2AHDAC6HDAC3HDAC1HDAC2

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