SCHEMBL9338995

SCHEMBL9338995

Nc1cc(S(=O)(=O)CCO)ccc1S(=O)(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.67
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CASP6 P55212 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
LOX P28300 1/20 0.39
TSHR P16473 1/20 0.37
NT5E P21589 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL10606415 0.90 CA2 (0.81) CA2ALDH1A1HSD17B10POLBGAA
SCHEMBL10646225 0.87 CA2 (0.54) CA2ALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL9784352 0.85 CA2 (0.51) CA2ALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL11685947 0.83 CA2 (0.51) CA2ALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL11681026 0.83 CA2 (0.51) CA2ALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL5117068 0.83 CA2 (0.47) CA2ALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL3369801 0.82 CA2 (0.60) CA2ALDH1A1HSD17B10POLBGAA
SCHEMBL10628244 0.82 CA2 (0.50) CA2ALDH1A1CYP2C19MAPTMEN1
Sulfuric Acid SCHEMBL28440581 0.81 CA2 (0.47) CA2ALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL13892255 0.80 ALDH1A1 (0.47) CA2ALDH1A1CYP2C9CYP2C19POLB

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 11 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
US-4745187-A Process for the preparation of water-soluble phthalocyanine dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1988-05-17 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-0231837-A2 Process for the preparation of water soluble phthalocyanine dyes HOECHST AKTIENGESELLSCHAFT (DE) 1987-08-12 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-4346046-A FROM AMINOARYL-B-HYDROXYETHYLSULFONE AND SULFURIC ACID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-08-24 US disclosed
US-4237050-A Process for the preparation of water-soluble phthalocyanine dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1980-12-02 US disclosed
US-4229171-A Process for the preparation of fiber-reactive dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1980-10-21 US disclosed
US-4033980-A Phthalocyanine dyestuffs and process for preparing them HOECHST AKTIENGESELLSCHAFT (DT) 1977-07-05 US disclosed