SCHEMBL9559059

SCHEMBL9559059

CC(=O)OCCS(=O)(=O)c1ccc(N)c(S(=O)(=O)CCOC(C)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.48
ALDH1A1 P00352 5/20 0.39
HTT P42858 3/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
NEK1 Q96PY6 1/20 0.34
PARG Q86W56 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
CDC25B P30305 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33

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
SCHEMBL28985027 0.83 CA2 (0.46) CA2ALDH1A1HTTGAANPSR1
SCHEMBL9558736 0.81 CA2 (0.41) CA2ALDH1A1HTTKMT2AMEN1
SCHEMBL6936905 0.81 CA2 (0.51) CA2ALDH1A1GAACA12CA1
SCHEMBL10673325 0.81 CA2 (0.52) CA2ALDH1A1HTTLMNAGAA
SCHEMBL5711929 0.80 CA2 (0.54) CA2ALDH1A1HTTKMT2AMEN1
SCHEMBL13391991 0.79 ALDH1A1 (0.48) CA2ALDH1A1HTTKMT2AMEN1
SCHEMBL7882865 0.78 CA2 (0.49) CA2ALDH1A1HTTLMNACA12
SCHEMBL10769838 0.77 CA2 (0.41) CA2ALDH1A1HTTKMT2AMEN1
SCHEMBL9558910 0.77 CA2 (0.45) CA2ALDH1A1CA12CA1CA9
SCHEMBL9558916 0.77 CA2 (0.61) CA2ALDH1A1KMT2AMEN1GAA

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
US-5233026-A For cold, pad-batch process; color and washfastness CIBA-GEIGY CORPORATION (US) 1993-08-03 US disclosed
EP-0261079-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1991-10-16 EP disclosed
US-5047514-A Bireactive primary disazo dyes containing 1-amino-8-hydroxynaphthalene-3,6 Disulfonic acid as coupling component CIBA-GEIGY CORPORATION (US) 1991-09-10 US disclosed
US-4996304-A For low temperature dyeing and printing of cellulose fibers; colorfastness CIBA-GEIGY CORPORATION (US) 1991-02-26 US disclosed
US-4935501-A COLORFASTNESS; REDS, ORANGES, YELLOWS; DYEING CELLULOSE FIBERS AT LOW TEMPERATURES CIBA-GEIGY CORPORATION (US) 1990-06-19 US disclosed
US-4845203-A FOR CELLULOSE FIBERS CIBA-GEIGY CORPORATION (US) 1989-07-04 US disclosed
US-4766206-A Reactive dyestuffs comprising a vinylsulfonylalkylaminocarbonyl moiety CIBA-GEIGY CORPORATION (US) 1988-08-23 US disclosed
US-4746732-A COTTON AND WOOL CIBA-GEIGY CORPORATION (US) 1988-05-24 US disclosed
US-4713082-A Process for dyeing or printing textile fibre materials with reactive dye containing vinyl sulfonyl-type group and chloro-triazinyl amino group CIBA-GEIGY CORPORATION (US) 1987-12-15 US disclosed
US-4709018-A COLORFAST CIBA-GEIGY CORPORATION (US) 1987-11-24 US disclosed
EP-0107614-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1987-10-21 EP disclosed
EP-0208331-A2 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1987-01-14 EP disclosed
US-4585460-A COTTON CIBA-GEIGY CORPORATION (US) 1986-04-29 US disclosed
EP-0177445-A1 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1986-04-09 EP disclosed