SCHEMBL8854565

SCHEMBL8854565

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.36
NFE2L2 Q16236 3/20 0.36
LMNA P02545 1/20 0.35
KMT2A Q03164 4/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.33
MAOB P27338 1/20 0.33
NR1H2 P55055 1/20 0.32
KDM4E B2RXH2 2/20 0.32
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
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 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
SCHEMBL27483441 0.88 KCNK3 (0.38) LMNAKMT2AHPGDKDM4ETP53
SCHEMBL27448200 0.84 KMT2A (0.36) KMT2AGAAHPGDNR1H2KDM4E
SCHEMBL27482714 0.83 GABRA1 (0.34) LMNAKMT2AGAASMN1; SMN2MAOB
SCHEMBL27482354 0.83 SLC22A12 (0.37) NFE2L2
SCHEMBL8854405 0.82 NFE2L2 (0.36) ATMNFE2L2LMNAKMT2AGAA
SCHEMBL8854570 0.82 NFE2L2 (0.36) ATMNFE2L2LMNAKMT2AGAA
SCHEMBL8854609 0.81 STK10 (0.35) LMNAAR
SCHEMBL8854411 0.80 ATM (0.37) ATMNFE2L2LMNAKMT2ASMN1; SMN2
SCHEMBL27482712 0.80 MAOB (0.39) KMT2AMAOBNR1H2MEN1TSHR
SCHEMBL8854723 0.79 AR (0.35) NR1H2AR

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
CN-1173282-A Herbicidal method utilizing phosphosulfonate herbicides and oxime ether safeners ROHM & HAAS (US) 1998-02-18 CN claimed
US-5693590-A PLANT GROWTH REGULATOR ROHM AND HAAS COMPANY (US) 1997-12-02 US claimed
CN-1133120-A Combination containing phosphine sulfonate ester herbicide and dichloro acetamide safety agent ROHM & HAAS (US) 1996-10-16 CN claimed