SCHEMBL22657408

SCHEMBL22657408

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.45
PDE2A O00408 7/20 0.43
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
STAT3 P40763 1/20 0.42
STAT1 P42224 1/20 0.42
PTGS1 P23219 2/20 0.42
PTGER4 P35408 3/20 0.42
PTGDR Q13258 1/20 0.42
WDR91 A4D1P6 2/20 0.41
TRPV1 Q8NER1 1/20 0.40
AKT1 P31749 1/20 0.39

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
SCHEMBL22686817 0.96 PDE2A (0.46) MALT1PDE2AHDAC3HDAC1HDAC2
SCHEMBL22684760 0.92 WDR91 (0.53) MALT1PDE2ASTAT3STAT1PTGS1
SCHEMBL22685206 0.90 PDE2A (0.48) PDE2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL22685246 0.88 WDR91 (0.45) MALT1HDAC3HDAC1HDAC2HDAC6
SCHEMBL22685182 0.88 PDE2A (0.41) PDE2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL22686821 0.88 MALT1 (0.45) MALT1PDE2AHDAC3HDAC1HDAC2
SCHEMBL22685207 0.88 PDE2A (0.43) PDE2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL22685260 0.87 MALT1 (0.45) MALT1PDE2AHDAC3HDAC1HDAC2
SCHEMBL22686813 0.86 PDE2A (0.42) MALT1PDE2AHDAC3HDAC1HDAC2
SCHEMBL22686807 0.86 PDE2A (0.43) MALT1PDE2AHDAC3HDAC1HDAC2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112047877-A Novel amide compound and use thereof 和记黄埔医药(上海)有限公司 2020-12-08 CN disclosed
WO-2020228823-A1 NOVEL AMIDE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2020-11-19 WO disclosed