SCHEMBL10842370

SCHEMBL10842370

O=C(O)CS(=O)(=O)c1ccc2c(-c3ccccc3F)noc2c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 4/20 0.46
▸ MMP2 P08253 1/20 0.42
▸ MMP7 P09237 1/20 0.42
▸ MMP14 P50281 1/20 0.42
▸ ESR1 P03372 5/20 0.40
▸ ESR2 Q92731 5/20 0.40
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ GPBAR1 Q8TDU6 1/20 0.36
▸ EPAS1 Q99814 1/20 0.36

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
SCHEMBL10845047 0.81 FFAR1 (0.37) FFAR1ESR1ESR2NPC1RAB9A
SCHEMBL10644924 0.80 ESR1 (0.39) ESR1ESR2NPC1RAB9AGPBAR1
SCHEMBL10642245 0.79 ESR1 (0.37) MMP2ESR1ESR2NPC1RAB9A
SCHEMBL10642051 0.78 ESR1 (0.44) FFAR1MMP2MMP7MMP14ESR1
SCHEMBL10644787 0.76 ESR1 (0.40) ESR1ESR2NPC1RAB9AGPBAR1
SCHEMBL11558270 0.76 ESR1 (0.48) ESR1ESR2NPC1RAB9A
SCHEMBL10661416 0.75 ALDH1A1 (0.50) ESR1ESR2
SCHEMBL10644719 0.75 PTGS1 (0.39) FFAR1MMP2MMP7MMP14NPC1
SCHEMBL10661793 0.73 ESR1 (0.72) ESR1ESR2
SCHEMBL10645089 0.70 ESR1 (0.39) ESR1ESR2NPC1RAB9AGPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4602028-A Antihypertensive 3-aryl-1,2-benzisoxazol-sulfonyl and sulfinylalkanoic acids HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1986-07-22 — — US claimed
US-4602028-A Antihypertensive 3-aryl-1,2-benzisoxazol-sulfonyl and sulfinylalkanoic acids HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1986-07-22 — — US disclosed
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