SCHEMBL8752139

SCHEMBL8752139

CC(=O)OCCS(=O)(=O)c1ccc([NH])cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.54
ALDH1A1 P00352 6/20 0.45
KMT2A Q03164 4/20 0.45
HTT P42858 3/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
MMP1 P03956 4/20 0.41
MMP13 P45452 3/20 0.41
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MMP8 P22894 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 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
SCHEMBL4067415 0.85 ALDH1A1 (0.56) CA2ALDH1A1KMT2AHTTLMNA
SCHEMBL15833291 0.85 CA2 (0.51) CA2ALDH1A1KMT2AHTTLMNA
SCHEMBL5711929 0.83 CA2 (0.54) CA2ALDH1A1KMT2AHTTLMNA
SCHEMBL12237305 0.83 GAA (0.51) CA2ALDH1A1KMT2AHTTLMNA
SCHEMBL12237322 0.83 CA2 (0.53) CA2ALDH1A1KMT2AHTTLMNA
SCHEMBL13434032 0.82 HTT (0.62) CA2ALDH1A1KMT2AHTTLMNA
SCHEMBL1373345 0.80 CA2 (0.50) CA2ALDH1A1KMT2AHTTLMNA
SCHEMBL14816982 0.80 PKM (0.49) CA2ALDH1A1KMT2ALMNAMEN1
SCHEMBL8818862 0.77 CA2 (0.39) CA2ALDH1A1KMT2AHTTLMNA
SCHEMBL10537952 0.77 CA2 (0.45) CA2ALDH1A1KMT2AHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538785-B1 Water-soluble fiber-reactive dyes, process for their preparation and their use HOECHST AG (DE) 1997-04-09 EP disclosed
EP-0703906-A4 FIBER REACTIVE ANTHRAQUINONE DYES HOECHST CELANESE CORP (US) 1996-08-28 EP disclosed
US-5539109-A Fiber-reactive triphenodioxazine dyes HOECHST CELANESE CORPORATION (US) 1996-07-23 US disclosed
EP-0703906-A1 FIBER REACTIVE ANTHRAQUINONE DYES HOECHST CELANESE CORPORATION (US) 1996-04-03 EP disclosed
US-5393884-A Water soluble blue dyes HOECHST CELANESE CORPORATION (US) 1995-02-28 US disclosed
WO-1994021646-A1 FIBER-REACTIVE TRIPHENODIOXAZINE DYES HOECHST CELANESE CORPORATION (US) 1994-09-29 WO disclosed
US-5321134-A Water-soluble phthalocyanine dyes, processes for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-14 US disclosed
US-5302708-A Colorfastness HOECHST AKTIENGESELLSCHAFT (DE) 1994-04-12 US disclosed
US-5280110-A Fiber-reactive dye HOECHST AKTIENGESELLSCHAFT (DE) 1994-01-18 US disclosed
EP-0471702-B1 WATER-SOLUBLE REACTIVE DYES FOR FIBRES, THEIR PREPARATION AND USE HOECHST AG (DE) 1993-12-29 EP disclosed
US-5256776-A Brilliant green dyeings; fiber reactive HOECHST AKTIENGESELLSCHAFT (DE) 1993-10-26 US disclosed
US-5231172-A Water solubility HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-27 US disclosed
US-5227475-A WATER-SOLUBLE FIBER-REACTIVE DYESTUFFS CONTAINING A CYANAMIDO-SUBSTITUTED TRIAZINYLAMINO-GROUPING, AND A PROCESS FOR DYEING WITH THE USE OF THESE DYES HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-13 US disclosed
EP-0548792-A2 Water-soluble reactive dyes, their manufacture and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-30 EP disclosed
EP-0541057-A1 Water-soluble phthalocyanine dyes, process for their preparation and the use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1993-05-12 EP disclosed
EP-0538785-A2 Water-soluble fiber-reactive dyes, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-04-28 EP disclosed
EP-0530660-A2 Water-soluble phthalocyanine dyes, process for their preparation and the use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1993-03-10 EP disclosed
WO-1990013604-A1 WATER-SOLUBLE REACTIVE DYES FOR FIBRES, THEIR PREPARATION AND USE HOECHST AKTIENGESELLSCHAFT (DE) 1990-11-15 WO disclosed