SCHEMBL11104381

SCHEMBL11104381

NS(=O)(=O)c1cc(S(=O)(=O)Oc2ccccc2)c(NCc2ccco2)cc1S(=O)(=O)C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ CA12 O43570 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA4 P22748 2/20 0.43
▸ CA6 P23280 2/20 0.43
▸ CA5A P35218 2/20 0.43
▸ CA7 P43166 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ CA14 Q9ULX7 2/20 0.43
▸ CA5B Q9Y2D0 2/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ HSD11B1 P28845 1/20 0.43
▸ SLC10A1 Q14973 1/20 0.43
▸ GPR35 Q9HC97 1/20 0.43
▸ CISD1 Q9NZ45 1/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ HSD17B10 Q99714 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38

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 0.99 ALDH1A1 (0.43) ALDH1A1CA12CA1CA2CA4
SCHEMBL11096601 0.99 ALDH1A1 (0.43) ALDH1A1CA12CA1CA2CA4
SCHEMBL11099270 0.87 ALDH1A1 (0.42) ALDH1A1CA12CA1CA2CA4
SCHEMBL11104031 0.86 CA12 (0.48) CA12CA1CA2CA4CA6
SCHEMBL11104379 0.85 ALDH1A1 (0.48) ALDH1A1CA12CA1CA2CA4
SCHEMBL11096591 0.84 ALDH1A1 (0.45) ALDH1A1CA12CA1CA2CA4
SCHEMBL11098356 0.84 CISD1 (0.43) CA12CA1CA2CA4CA6
Potassium Ion SCHEMBL11100066 0.83 ALDH1A1 (0.44) ALDH1A1CA12CA1CA2CA4
SCHEMBL11100710 0.83 ALDH1A1 (0.44) ALDH1A1CA12CA1CA2CA4
Potassium Ion SCHEMBL11101257 0.83 ALDH1A1 (0.44) ALDH1A1CA12CA1CA2CA4

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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