SCHEMBL8463565

SCHEMBL8463565

[CH2]OS(=O)(=O)c1c(C)cccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SCN8A Q9UQD0 1/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 2/20 0.33
MAPK1 P28482 1/20 0.33
AR P10275 1/20 0.33
CES1 P23141 1/20 0.33
NR1H2 P55055 4/20 0.32
NR1H3 Q13133 3/20 0.32
NFE2L2 Q16236 1/20 0.32
SLC22A12 Q96S37 1/20 0.31
ATM Q13315 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
SCHEMBL8854441 0.85 KMT2A (0.40) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL8854731 0.81 NFE2L2 (0.40) KMT2AGAAARNFE2L2SLC22A12
SCHEMBL8412043 0.81 MEN1 (0.38) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL8854653 0.81 GABRA1 (0.40) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL8411502 0.81 KMT2A (0.38) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL28231669 0.79 MEN1 (0.43) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL8409006 0.77 MEN1 (0.42) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL28113278 0.77 MEN1 (0.42) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL2127253 0.77 MEN1 (0.42) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL8854538 0.77 MEN1 (0.35) KMT2AMEN1CYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5693590-A PLANT GROWTH REGULATOR ROHM AND HAAS COMPANY (US) 1997-12-02 US claimed
CN-1066266-A PHOSPHOSULFONATE HERBICIDES ROHM & HAAS (US) 1992-11-18 CN claimed
US-5883044-A Herbicidal method utilizing phosphosulfonate herbicides and oxime ether safeners ROHM AND HAAS COMPANY (US) 1999-03-16 US disclosed