SCHEMBL7714693

SCHEMBL7714693

COC(=O)Cc1c(F)cc(N)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.44
ALDH1A1 P00352 2/20 0.44
GFER P55789 1/20 0.44
HSP90AB1 P08238 1/20 0.40
HSD17B10 Q99714 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
EGFR P00533 3/20 0.33
AKR1C3 P42330 2/20 0.33
TLR7 Q9NYK1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL6286616 0.81 GAA (0.45) GAAALDH1A1GFERHSP90AB1HSD17B10
SCHEMBL26971018 0.80 HSP90AB1 (0.40) GAAALDH1A1GFERHSP90AB1HSD17B10
SCHEMBL28383857 0.78 GAA (0.42) GAAALDH1A1GFERHSP90AB1HSD17B10
SCHEMBL155393 0.77 HSP90AB1 (0.46) GAAALDH1A1GFERHSP90AB1HSD17B10
SCHEMBL10268125 0.77 HSD17B10 (0.41) GAAALDH1A1GFERHSP90AB1HSD17B10
SCHEMBL328578 0.76 ALDH1A1 (0.46) GAAALDH1A1GFERHSP90AB1HSD17B10
SCHEMBL5007047 0.76 MEN1 (0.44) GAAALDH1A1GFERHSP90AB1HSD17B10
SCHEMBL22443156 0.75 GAA (0.40) GAAALDH1A1GFERHSP90AB1HSD17B10
SCHEMBL22655985 0.75 SMN1; SMN2 (0.44) GAAALDH1A1GFERHSP90AB1HSD17B10
SCHEMBL12275384 0.75 HSP90AB1 (0.58) GAAALDH1A1GFERHSP90AB1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865421-B1 ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS GLAXO GROUP LTD (GB) 2002-03-27 EP disclosed
US-6048872-A DIETETICS; ANTIDIABETIC AGENTS; CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS GLAXO WELLCOME INC. (US) 2000-04-11 US disclosed
EP-0865421-A1 ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS GLAXO GROUP LIMITED (GB) 1998-09-23 EP disclosed
WO-1997021665-A1 ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS GLAXO GROUP LIMITED (GB) 1997-06-19 WO disclosed