SCHEMBL31498221

SCHEMBL31498221

O=S(=O)(Oc1ccc(Nc2ccccc2)cc1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
HSD17B10 Q99714 4/20 0.48
TSHR P16473 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
PTGS1 P23219 2/20 0.48
PTGS2 P35354 2/20 0.48
ALOX12 P18054 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 2/20 0.48
ALOX15 P16050 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2B P41595 1/20 0.48
MAPT P10636 4/20 0.47
GAA P10253 2/20 0.47
HSP90AA1 P07900 1/20 0.47
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
MEN1 O00255 3/20 0.46

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
SCHEMBL8821206 0.82 CA1 (0.56) TSHRTDP1PTGS1PTGS2CA1
SCHEMBL780030 0.82 CA1 (0.56) TSHRTDP1PTGS1PTGS2CA1
SCHEMBL576035 0.82 CA2 (0.50) CA1CA2CA9PTPN1CXCR2
SCHEMBL28043817 0.80 CA1 (0.54) TDP1PTGS1PTGS2CA1CA2
SCHEMBL28807949 0.80 CA1 (0.54) TDP1PTGS1PTGS2CA1CA2
Iodide SCHEMBL3347577 0.80 CA1 (0.54) TDP1PTGS1PTGS2CA1CA2
SCHEMBL6923665 0.80 CA1 (0.54) TDP1PTGS1PTGS2CA1CA2
Methane SCHEMBL27573607 0.80 CA1 (0.54) TDP1PTGS1PTGS2CA1CA2
SCHEMBL1128833 0.80 CA1 (0.54) TDP1PTGS1PTGS2CA1CA2
SCHEMBL27804335 0.80 CA1 (0.54) TDP1PTGS1PTGS2CA1CA2

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
WO-2025094700-A1 TRIFLUOROMETHANESULFONATING AGENT COMPOSITION AND METHOD FOR PRODUCING TRIFLUOROMETHANESULFONYLOXY COMPOUND 学校法人神戸薬科大学 2025-05-08 WO disclosed