SCHEMBL11099270

SCHEMBL11099270

NS(=O)(=O)c1cc(S(=O)(=O)Oc2ccccc2)c(NCc2ccco2)cc1S(=O)(=O)CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA6 P23280 1/20 0.42
▸ HSD11B1 P28845 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ SLC10A1 Q14973 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ GPR35 Q9HC97 1/20 0.42
▸ CISD1 Q9NZ45 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ ABCG2 Q9UNQ0 1/20 0.42
▸ CA5B Q9Y2D0 1/20 0.42
▸ AQP1 P29972 1/20 0.35
▸ USP2 O75604 2/20 0.34
▸ HSD17B10 Q99714 3/20 0.34

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
SCHEMBL11101859 0.88 ALDH1A1 (0.43) ALDH1A1CA12CA1CA2HTR1A
SCHEMBL11096601 0.88 ALDH1A1 (0.43) ALDH1A1CA12CA1CA2HTR1A
SCHEMBL11104381 0.87 ALDH1A1 (0.43) ALDH1A1CA12CA1CA2HTR1A
SCHEMBL11099566 0.85 ALDH1A1 (0.43) ALDH1A1CA12CA1CA2HTR1A
SCHEMBL11097992 0.85 ALDH1A1 (0.43) ALDH1A1CA12CA1CA2HTR1A
Potassium Ion SCHEMBL11103408 0.84 ALDH1A1 (0.43) ALDH1A1CA12CA1CA2HTR1A
SCHEMBL11099810 0.83 ALDH1A1 (0.45) ALDH1A1CA12CA1CA2HTR1A
SCHEMBL11104379 0.82 ALDH1A1 (0.48) ALDH1A1CA12CA1CA2HTR1A
SCHEMBL11101209 0.82 ALDH1A1 (0.44) ALDH1A1CA12CA1CA2HTR1A
SCHEMBL10964924 0.82 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2HTR1A

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-0034746-B1 5-SULFAMOYL-ORTHANILIC ACIDS, PROCESSES FOR THEIR PREPARATION, THERAPEUTIC COMPOSITIONS CONTAINING THEM AND THE COMPOUNDS FOR USE IN THERAPY HOECHST AKTIENGESELLSCHAFT (DE) 1984-01-18 — — EP disclosed
US-4339446-A 5-Sulfamoyl-orthanilic acids, processes for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1982-07-13 — — US disclosed
EP-0034746-A1 5-Sulfamoyl-orthanilic acids, processes for their preparation, therapeutic compositions containing them and the compounds for use in therapy HOECHST AKTIENGESELLSCHAFT (DE) 1981-09-02 — — EP disclosed
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