SCHEMBL28663605

SCHEMBL28663605

O=S(=O)(F)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.70
▸ CA1 P00915 2/20 0.70
▸ CA2 P00918 2/20 0.70
▸ CA9 Q16790 2/20 0.70
▸ CA4 P22748 1/20 0.70
▸ CA5A P35218 1/20 0.70
▸ CA7 P43166 1/20 0.70
▸ CA5B Q9Y2D0 1/20 0.70
▸ MGLL Q99685 3/20 0.62
▸ AR P10275 9/20 0.58
▸ LMNA P02545 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ PTGS1 P23219 1/20 0.56
▸ SLC6A2 P23975 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ PTGS2 P35354 1/20 0.56
▸ SLC6A3 Q01959 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.56
▸ PTPRZ1 P23471 1/20 0.56

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
SCHEMBL7108878 0.85 CA12 (0.74) CA12CA1CA2CA9CA4
SCHEMBL28508086 0.84 CA12 (0.72) CA12CA1CA2CA9CA4
SCHEMBL9260073 0.84 CA12 (0.72) CA12CA1CA2CA9CA4
SCHEMBL11266317 0.82 CA12 (0.70) CA12CA1CA2CA9CA4
SCHEMBL31530324 0.82 MGLL (0.62) CA12CA1CA2CA9CA4
SCHEMBL1462243 0.82 CA12 (0.70) CA12CA1CA2CA9CA4
SCHEMBL1424430 0.82 CA12 (0.70) CA12CA1CA2CA9CA4
SCHEMBL8760665 0.82 CA12 (1.00) CA12CA1CA2CA9CA4
SCHEMBL926213 0.82 CA12 (0.70) CA12CA1CA2CA9CA4
Hydrochloric Acid SCHEMBL28119647 0.81 CA12 (0.68) CA12CA1CA2CA9CA4

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
WO-2025096495-A1 ARYL FLUOROSULFATE-BASED INHIBITORS AS NOVEL ANTITUBERCULAR AGENTS THE SCRIPPS RESEARCH INSTITUTE (US) 2025-05-08 — — WO claimed
CN-113603619-A Method for preparing aryl sulfonyl fluoride by taking aryl hydrazine hydrochloride as raw material 上海应用技术大学 2021-11-05 — — CN claimed
WO-2025096495-A1 ARYL FLUOROSULFATE-BASED INHIBITORS AS NOVEL ANTITUBERCULAR AGENTS THE SCRIPPS RESEARCH INSTITUTE (US) 2025-05-08 — — WO disclosed
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