SCHEMBL22868020

SCHEMBL22868020

N#Cc1ccccc1Oc1cccc(I)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
GAA P10253 1/20 0.54
AR P10275 11/20 0.47
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
LRRK2 Q5S007 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP19A1 P11511 1/20 0.43
MAPK14 Q16539 1/20 0.40
FFAR4 Q5NUL3 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 1/20 0.38

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
SCHEMBL3840557 0.82 GAA (0.44) GAAALDH1A1SMN1; SMN2
SCHEMBL6867906 0.80 POLB (0.54) POLBGAAARPDE4APDE4B
SCHEMBL7486810 0.80 POLB (0.54) POLBGAAARPDE4APDE4B
SCHEMBL8561327 0.80 POLB (0.73) POLBGAAARPDE4APDE4B
SCHEMBL6511189 0.80 MAOB (0.55) POLBGAAARPDE4APDE4B
SCHEMBL30426714 0.80 AR (0.66) POLBGAAARPDE4APDE4B
SCHEMBL30441601 0.80 GAA (0.72) POLBGAAARPDE4APDE4B
SCHEMBL1162713 0.80 GAA (0.72) POLBGAAARPDE4APDE4B
SCHEMBL14018654 0.78 PARP10 (0.56) POLBGAAARPDE4APDE4B
SCHEMBL22719774 0.76 AR (0.50) POLBGAAAR

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-2021003295-A1 MODULATORS OF HSD17B13 AND METHODS OF USE THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2021-01-07 WO disclosed