SCHEMBL9335216

SCHEMBL9335216

Nc1cc(S(=O)(=O)CCO)c(S(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 12/20 0.53
▸ CA12 O43570 3/20 0.33
▸ CA1 P00915 3/20 0.33
▸ CA4 P22748 3/20 0.33
▸ CA6 P23280 3/20 0.33
▸ CA5A P35218 3/20 0.33
▸ CA7 P43166 3/20 0.33
▸ CA9 Q16790 3/20 0.33
▸ CA14 Q9ULX7 3/20 0.33
▸ CA5B Q9Y2D0 3/20 0.33
▸ CA3 P07451 2/20 0.33
▸ CA13 Q8N1Q1 2/20 0.33
▸ TTR P02766 1/20 0.33
▸ NQO1 P15559 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.31
▸ HSD17B10 Q99714 3/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL9661350 0.84 CA2 (0.37) CA2CA12CA1CA4CA6
SCHEMBL7650327 0.81 CA2 (0.36) CA2TTRNQO1CTDSP1
SCHEMBL10391839 0.80 CA2 (0.35) CA2TTRNQO1CTDSP1ALDH1A1
SCHEMBL13892256 0.79 CA2 (0.38) CA2CA12CA1CA4CA6
SCHEMBL10870494 0.78 TTR (0.43) CA2CA12CA1CA4CA6
SCHEMBL1412987 0.78 TTR (0.46) CA2CA12CA1CA4CA6
SCHEMBL10391842 0.77 CA2 (0.33) CA2CTDSP1
SCHEMBL9338995 0.76 CA2 (0.67) CA2CA12CA1CA9ALDH1A1
SCHEMBL10646225 0.76 CA2 (0.54) CA2TTRCTDSP1ALDH1A1HSD17B10
SCHEMBL28567480 0.76 TTR (0.45) CA2CA12CA1CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0374815-B1 Complex copper formazane compounds, process for their preparation and their use as dyestuffs HOECHST AG (DE) 1994-05-04 — — EP disclosed
US-5028700-A For cotton, wool, polyamide, red, violet HOECHST AKTIENGESELLSCHAFT (DE) 1991-07-02 — — US disclosed
US-4757135-A Copper-containing fiber reactive dye HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-12 — — US disclosed
EP-0183054-B1 COPPER FORMAZANE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1988-04-13 — — EP disclosed
EP-0183054-A1 Copper formazane compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1986-06-04 — — EP disclosed
US-4134887-A FIBER-REACTIVE HOECHST AKTIENGESELLSCHAFT (DE) 1979-01-16 — — US disclosed
US-4066638-A WATER-SOLUBLE FIBER REACTIVE PHENYL-AZO-NAPHTHYL DYESTUFFS CONTAINING TWO SULFO GROUPS IN THE PHENYL MOIETY HOECHST AKTIENGESELLSCHAFT (DT) 1978-01-03 — — US disclosed
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