SCHEMBL8941869

SCHEMBL8941869

COc1ccc(S(=O)(=O)NC#N)cc1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.66
CA2 P00918 1/20 0.66
MMP1 P03956 1/20 0.66
MMP2 P08253 1/20 0.66
MMP9 P14780 1/20 0.66
MMP8 P22894 1/20 0.66
MMP13 P45452 1/20 0.66
F2 P00734 3/20 0.58
PRSS1 P07477 3/20 0.58
PRSS2 P07478 3/20 0.58
PRSS3 P35030 3/20 0.58
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
LMNA P02545 3/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL8640402 0.88 MAPT (0.57) CA1CA2MMP1MMP2MMP9
SCHEMBL1815207 0.81 CA1 (0.73) CA1CA2MMP1MMP2MMP9
SCHEMBL12000869 0.80 CA1 (1.00) CA1CA2MMP1MMP2MMP9
SCHEMBL8639896 0.77 PKM (0.58) CA1CA2MMP1MMP2MMP9
SCHEMBL8131057 0.77 POLB (0.68) CA1CA2MMP1MMP2MMP9
SCHEMBL11122253 0.77 POLB (0.68) CA1CA2MMP1MMP2MMP9
SCHEMBL8642756 0.76 MAPT (0.54) CA1CA2MMP1MMP2MMP9
SCHEMBL8941696 0.76 ALDH1A1 (0.49) CA1CA2MMP1MMP2MMP9
SCHEMBL1806001 0.75 CA1 (0.65) CA1CA2MMP1MMP2MMP9
SCHEMBL30629805 0.75 CA1 (0.65) CA1CA2MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0602550-A1 Watersoluble anthraquinone compounds, process for their preparation and their use as dyestuffes HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-22 EP claimed
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