SCHEMBL8640402

SCHEMBL8640402

COc1cc(S(=O)(=O)NC#N)ccc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.57
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
F2 P00734 3/20 0.45
PRSS1 P07477 3/20 0.45
PRSS2 P07478 3/20 0.45
PRSS3 P35030 3/20 0.45
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 5/20 0.43

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
SCHEMBL8941869 0.88 CA1 (0.66) MAPTCA1CA2MMP1MMP2
SCHEMBL8639896 0.77 PKM (0.58) MAPTCA1CA2MMP1MMP2
SCHEMBL3259829 0.77 TSHR (0.68) MAPTCA1CA2MMP1MMP2
SCHEMBL30184665 0.75 SMN1; SMN2 (0.59) MAPTCA1CA2MMP1MMP2
SCHEMBL358860 0.75 SMN1; SMN2 (0.59) MAPTCA1CA2MMP1MMP2
SCHEMBL8777970 0.75 MAPT (0.55) MAPTCA1CA2HTTALDH1A1
SCHEMBL30291384 0.75 MAPT (0.55) MAPTCA1CA2HTTALDH1A1
SCHEMBL8644184 0.75 PKM (0.47) MAPTCA1CA2MMP1MMP2
SCHEMBL10947961 0.75 CA12 (0.76) MAPTHTTLMNASMN1; SMN2ALDH1A1
SCHEMBL14988893 0.74 MAPT (0.54) MAPTCA1CA2MMP1MMP2

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-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