SCHEMBL25564299

SCHEMBL25564299

N[S+]([O-])c1ccccc1OC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN1 Q05586 1/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD11B1 P28845 1/20 0.33
MPL P40238 1/20 0.33
EPHX2 P34913 1/20 0.32
SCN9A Q15858 3/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TRPA1 O75762 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HCAR1 Q9BXC0 1/20 0.31
PTGES2 Q9H7Z7 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
SCHEMBL5543283 0.84 GAA (0.35) GAARXRARXRBRXRGALDH1A1
SCHEMBL4654446 0.73 RXRA (0.47) GAARXRARXRBRXRGALDH1A1
SCHEMBL29893374 0.69 ALDH1A1 (0.50) GAARXRARXRBRXRGGRIN2B
SCHEMBL112134 0.69 ALDH1A1 (0.50) GAARXRARXRBRXRGGRIN2B
SCHEMBL8323570 0.68 KCNH2 (0.34) HSD11B1
SCHEMBL7701143 0.68 ALDH1A1 (0.50) ALDH1A1L3MBTL1HSD11B1MPLSCN9A
Hydrochloric Acid SCHEMBL4379610 0.67 ALDH1A1 (0.48) GAARXRARXRBRXRGALDH1A1
SCHEMBL6371363 0.67 TDP1 (0.47) GAARXRARXRBRXRGALDH1A1
Hydrochloric Acid SCHEMBL27585317 0.67 ALDH1A1 (0.48) GAARXRARXRBRXRGALDH1A1
SCHEMBL255271 0.66 EPHX2 (0.43) GAARXRARXRBRXRGALDH1A1

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
EP-4288414-A1 SUBSTITUTED CYCLIC MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME Rappta Therapeutics Oy (FI) 2023-12-13 EP disclosed
WO-2023088233-A1 LYSINE ACETYLTRANSFERASE 6A (KAT6A) INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-05-25 WO disclosed
WO-2022167867-A1 SUBSTITUTED CYCLIC MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME RAPPTA THERAPEUTICS OY (FI) 2022-08-11 WO disclosed