SCHEMBL22685351

SCHEMBL22685351

Nc1nc(C(F)(F)F)ccc1-c1ccc(C2(NC(=O)c3ccc(Cl)cc3)COC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
WDR91 A4D1P6 12/20 0.54
PDE2A O00408 2/20 0.41
STAT3 P40763 1/20 0.35
STAT1 P42224 1/20 0.35
CXCR3 P49682 1/20 0.35
IDO1 P14902 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAP4K4 O95819 1/20 0.34
PHGDH O43175 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
SCHEMBL22685191 0.91 WDR91 (0.43) WDR91PDE2AIDO1
SCHEMBL22685173 0.89 IDO1 (0.42) WDR91PDE2ACXCR3IDO1MAP4K4
SCHEMBL22684822 0.88 WDR91 (0.40) WDR91PDE2AIDO1KDM4EALDH1A1
SCHEMBL22685244 0.84 WDR91 (0.40) WDR91PDE2AIDO1
SCHEMBL22685078 0.83 WDR91 (0.53) WDR91PDE2AIDO1MAP4K4
SCHEMBL22684799 0.82 IDO1 (0.39) PDE2AIDO1
SCHEMBL22685330 0.79 CXCR3 (0.42) PDE2ACXCR3MAP4K4
SCHEMBL22685198 0.78 WDR91 (0.53) WDR91KDM4EMAP4K4
SCHEMBL22685311 0.77 WDR91 (0.55) WDR91MAP4K4
SCHEMBL22685324 0.77 WDR91 (0.40) WDR91PDE2ACXCR3IDO1

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