SCHEMBL22685262

SCHEMBL22685262

Nc1cc(OC(F)(F)F)ncc1-c1ccc(C2(NC(=O)c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
WDR91 A4D1P6 2/20 0.40
PDE2A O00408 7/20 0.39
PTGER4 P35408 1/20 0.38
PTGDR Q13258 1/20 0.38
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
F10 P00742 1/20 0.37
MAP4K4 O95819 3/20 0.37
CXCR3 P49682 2/20 0.36
MALT1 Q9UDY8 1/20 0.36
GABRA5 P31644 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
SCHEMBL22685266 0.92 PDE2A (0.40) PDE2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL22685264 0.89 PDE2A (0.42) PDE2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL22685249 0.88 WDR91 (0.41) WDR91HDAC3HDAC1HDAC2HDAC6
SCHEMBL22685324 0.83 WDR91 (0.40) WDR91PDE2APTGER4PTGDRHDAC3
SCHEMBL22685329 0.80 IDO1 (0.43) HDAC3HDAC1HDAC2HDAC6MAP4K4
SCHEMBL22685078 0.80 WDR91 (0.53) WDR91PDE2AF10MAP4K4MALT1
SCHEMBL22685076 0.79 PTGER4 (0.46) WDR91PDE2APTGER4PTGDRCXCR3
SCHEMBL22686808 0.78 PDE2A (0.46) WDR91PDE2AAKT1F10MALT1
SCHEMBL22685247 0.78 ROCK2 (0.41) PDE2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL22685250 0.78 PTPN1 (0.40) PDE2AHDAC3HDAC1HDAC2HDAC6

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