SCHEMBL8734572

SCHEMBL8734572

COc1cccc(C(F)(F)F)c1S(=O)(=O)OOP(C)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.38
PTPN5 P54829 1/20 0.36
MAOB P27338 1/20 0.36
ATM Q13315 1/20 0.34
KDM4E B2RXH2 3/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL8764757 0.81 PTPN5 (0.36) NFE2L2PTPN5MAOBATMKDM4E
SCHEMBL8729840 0.80 PTPN5 (0.36) NFE2L2PTPN5MAOBATMKDM4E
SCHEMBL8854736 0.79 NFE2L2 (0.42) NFE2L2MAOBATMLMNAKMT2A
SCHEMBL8762778 0.77 ATM (0.37) NFE2L2PTPN5MAOBATMKDM4E
SCHEMBL8854731 0.76 NFE2L2 (0.40) NFE2L2MAOBATMLMNAKMT2A
SCHEMBL8854420 0.75 NFE2L2 (0.36) NFE2L2MAOBATMLMNAKMT2A
SCHEMBL8740250 0.74 NFE2L2 (0.43) NFE2L2MAOBATMKDM4ELMNA
SCHEMBL8764036 0.73 SMN1; SMN2 (0.32) NFE2L2ATMSMN1; SMN2
SCHEMBL3598103 0.73 NFE2L2 (0.42) NFE2L2MAOBKMT2A
SCHEMBL31172692 0.73 NFE2L2 (0.42) NFE2L2MAOBKMT2A

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-0699390-B1 Compositions containing phosphosulfonate herbicides and dichloroacetamide safeners, and method of use ROHM & HAAS (US) 1998-10-07 EP claimed