SCHEMBL8075768

SCHEMBL8075768

Nc1cccc(S(=O)(=O)CCOS(=O)(=O)O)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.39
GAA P10253 1/20 0.34
APEX1 P27695 1/20 0.34
KYNU Q16719 2/20 0.34
CA2 P00918 3/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CYP2C9 P11712 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
HTR6 P50406 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL1170678 0.84 KYNU (0.47) TTRGAAAPEX1KYNUCA2
SCHEMBL9178147 0.82 TTR (0.58) TTRAPEX1ALDH1A1HSD17B10CYP3A4
SCHEMBL3481099 0.81 TTR (0.41) TTRAPEX1HTTALDH1A1HSD17B10
SCHEMBL11017137 0.80 CDK2 (0.38) TTRAPEX1CA2CA12CA1
SCHEMBL9809407 0.76 CA2 (0.43) CA2CYP2C9MEN1KMT2ASMN1; SMN2
SCHEMBL11406615 0.75 GAA (0.42) TTRGAAAPEX1KYNUCA2
SCHEMBL2296085 0.75 TTR (0.60) TTRGAAAPEX1KYNUCA2
SCHEMBL9558895 0.74 CA2 (0.46) APEX1CA2CA12CA1CA4
SCHEMBL8951874 0.74 CA2 (0.39) GAAAPEX1CA2CA12CA1
SCHEMBL22814637 0.74 GAA (0.35) TTRGAAAPEX1KYNUCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0703906-B1 FIBER REACTIVE ANTHRAQUINONE DYES DYSTAR L P (US) 2000-08-30 EP disclosed
CN-1235992-A Water-soluble fiber-reactive dyes, processes for their preparation and their use HOECHST AG (DE) 1999-11-24 CN disclosed
EP-0703906-A4 FIBER REACTIVE ANTHRAQUINONE DYES HOECHST CELANESE CORP (US) 1996-08-28 EP disclosed
EP-0703906-A1 FIBER REACTIVE ANTHRAQUINONE DYES HOECHST CELANESE CORPORATION (US) 1996-04-03 EP disclosed
CN-1108277-A Water-soluble fibre-reactive dyes, their preparation and their use HOECHST AG (DE) 1995-09-13 CN disclosed
CN-1103417-A Water soluble azo dyes which is reactable with fibre, preparation and application of same HOECHST AG (DE) 1995-06-07 CN disclosed
US-5409916-A Brilliant violet shades; free of heavy metals HOECHST CELANESE CORPORATION (US) 1995-04-25 US disclosed
US-5393884-A Water soluble blue dyes HOECHST CELANESE CORPORATION (US) 1995-02-28 US disclosed
WO-1994029283-A1 FIBER REACTIVE ANTHRAQUINONE DYES HOECHST CELANESE CORPORATION (US) 1994-12-22 WO disclosed
US-5349057-A Water soluble azo dyes containing a cyanoamino-triazinyl-amino group and a fiber-reactive of the sulfone series HOECHST AKTIENGESELLSCHAFT (DE) 1994-09-20 US disclosed
US-5334709-A Fiber-reactive dyes for cellulose materials, wool, polyamides; deep shades HOECHST AG (DE) 1994-08-02 US disclosed
US-5310886-A Fiber-reactive HOECHST AKTIENGESELLSCHAFT (DE) 1994-05-10 US disclosed
US-5278292-A Aromatic sulfonyl water-soluble color materials HOECHST AKTIENGESELLSCHAFT (DE) 1994-01-11 US disclosed
US-5021558-A Color strength, fastness HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-04 US disclosed