SCHEMBL8639896

SCHEMBL8639896

COc1cc(S(=O)(=O)NC#N)c(OC)cc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.58
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
F2 P00734 2/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.37
POLB P06746 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 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
SCHEMBL8644184 0.88 PKM (0.47) PKMCA1CA2MMP1MMP2
SCHEMBL4610100 0.80 PKM (0.66) PKMCA1CA2MMP1MMP2
SCHEMBL8941696 0.80 ALDH1A1 (0.49) CA1CA2MMP1MMP2MMP9
SCHEMBL8640402 0.77 MAPT (0.57) CA1CA2MMP1MMP2MMP9
SCHEMBL8941869 0.77 CA1 (0.66) PKMCA1CA2MMP1MMP2
SCHEMBL30068292 0.74 PKM (1.00) PKMCA1CA2MMP1MMP2
SCHEMBL8777777 0.74 PKM (1.00) PKMCA1CA2MMP1MMP2
SCHEMBL8941694 0.74 L3MBTL1 (0.45) ALDH1A1L3MBTL1ALPLNPSR1
SCHEMBL7764285 0.73 PKM (0.70) PKMCA1CA2MMP1MMP2
SCHEMBL4650366 0.73 PKM (0.70) PKMCA1CA2MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0602550-B1 Watersoluble anthraquinone compounds, process for their preparation and their use as dyestuffes DYSTAR TEXTILFARBEN GMBH & CO (DE) 1998-08-19 EP claimed
EP-0602550-A1 Watersoluble anthraquinone compounds, process for their preparation and their use as dyestuffes HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-22 EP claimed
EP-0602550-B1 Watersoluble anthraquinone compounds, process for their preparation and their use as dyestuffes DYSTAR TEXTILFARBEN GMBH & CO (DE) 1998-08-19 EP disclosed
US-5498713-A FIBER-REACTIVE DYES HOECHST AKTIENGESELLSCHAFT (DE) 1996-03-12 US disclosed
EP-0602550-A1 Watersoluble anthraquinone compounds, process for their preparation and their use as dyestuffes HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-22 EP disclosed