SCHEMBL9566655

SCHEMBL9566655

O=C(O)c1cc(F)c(F)c(OC(F)(F)C(F)F)c1F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
SCN9A Q15858 2/20 0.32
CES2 O00748 2/20 0.31
CES1 P23141 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ASPH Q12797 1/20 0.31
KDM8 Q8N371 1/20 0.31

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
SCHEMBL9566709 0.89 LMNA (0.35) KEAP1NFE2L2ALDH1A1TSHRHSD17B10
SCHEMBL9566700 0.88 KEAP1 (0.33) KEAP1NFE2L2MAPT
SCHEMBL7813771 0.85 KEAP1 (0.37) KEAP1NFE2L2MAPTCES2CES1
SCHEMBL9566656 0.82 KEAP1 (0.34) KEAP1NFE2L2MAPT
SCHEMBL8595294 0.79 MAPT (0.35) KEAP1NFE2L2MAPTCES2CES1
SCHEMBL9566702 0.79 MAPT (0.35) KEAP1NFE2L2MAPTCES2CES1
SCHEMBL9566689 0.78 KEAP1 (0.33) KEAP1NFE2L2MAPT
SCHEMBL9566673 0.78 KEAP1 (0.36) KEAP1NFE2L2MAPT
SCHEMBL7804048 0.78 KEAP1 (0.37) KEAP1NFE2L2ALDH1A1TSHRMAPT
SCHEMBL9566698 0.77 KEAP1 (0.32) KEAP1NFE2L2MAPT

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
EP-0545866-A1 Process for the preparation of trifluorobenzol derivatives CIBA-GEIGY AG (CH) 1993-06-09 EP disclosed