SCHEMBL9655489

SCHEMBL9655489

CC1=C(Cl)C(=O)C(C(C)C)=CC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 1/20 0.47
PLK1 P53350 1/20 0.47
PLK2 Q9NYY3 1/20 0.47
PTPN1 P18031 1/20 0.42
HIF1A Q16665 3/20 0.38
EPAS1 Q99814 3/20 0.38
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
LMNA P02545 2/20 0.34
MAPK1 P28482 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
MPI P34949 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4975014 0.81 EEF2K (0.48) EEF2KPLK1PLK2PTPN1HIF1A
SCHEMBL18992936 0.80 EEF2K (0.52) EEF2KPLK1PLK2PTPN1HIF1A
SCHEMBL17499950 0.75 EEF2K (0.47) EEF2KPLK1PLK2PTPN1HIF1A
SCHEMBL9653457 0.73 MAPT (0.41) EEF2KPLK1PLK2HIF1ACDC25A
SCHEMBL9654631 0.73 AURKA (0.34) HIF1AMAPK1MEN1GAAKMT2A
SCHEMBL9655526 0.70 PTPRC (0.34)
SCHEMBL11602759 0.69 PLK1 (0.75) EEF2KPLK1PLK2PTPN1HIF1A
SCHEMBL5587282 0.68 CDC25A (0.41) EEF2KPLK1PLK2PTPN1CDC25A
SCHEMBL5590497 0.68 CDC25A (0.41) EEF2KPLK1PLK2PTPN1CDC25A
SCHEMBL28802328 0.68 CA12 (0.38) EEF2KPLK1PLK2PTPN1HIF1A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0355492-B1 REACTIVE DYES BAYER AG (DE) 1992-12-09 EP disclosed
US-5138054-A Colorfastness, photostability; red dye BAYER AKTIENGESELLSCHAFT (DE) 1992-08-11 US disclosed
EP-0255020-B1 WATER SOLUBLE TRIPHENODIOXAZINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1990-09-19 EP disclosed
EP-0229339-B1 WATER SOLUBLE TRIPHENE DIOXAZINE COMPOUNDS, THEIR STARTING COMPOUNDS CONTAINING SULPHONYL GROUPS, PROCESS FOR THEIR PREPARATION AND USE OF THE TRIPHENE DIOXAZINES AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-16 EP disclosed
EP-0355492-A1 Reactive dyes BAYER AG (DE) 1990-02-28 EP disclosed
US-4898944-A Precursors for the preparation of water-soluble triphendioxazine dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1990-02-06 US disclosed
US-4895954-A Dyeing wool, cellulose HOECHST AKTIENGESELLSCHAFT (DE) 1990-01-23 US disclosed
US-4816574-A FIBER-REACTIVE DYES FOR WOOL, CELLULOSE HOECHST AKTIENGESELLSCHAFT (DE) 1989-03-28 US disclosed
US-4786728-A FIBER-REACTIVE DYES FOR COTTON HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-22 US disclosed
US-4785099-A FIBER-REACTIVE DYES FOR CELLULOSE HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-15 US disclosed
EP-0141996-B1 TRIPHENDIOXAZINE REACTIVE DYES BAYER AG (DE) 1987-11-25 EP disclosed
EP-0229339-A2 Water soluble triphene dioxazine compounds, their starting compounds containing sulphonyl groups, process for their preparation and use of the triphene dioxazines as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-07-22 EP disclosed
EP-0144580-B1 TRIPHENDIOXAZINE DYES BAYER AG (DE) 1987-07-08 EP disclosed
EP-0222098-A2 Water soluble triphenodioxazine compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-05-20 EP disclosed
US-4629788-A COLORFASTNESS; BLUE COLOR; NATURAL AND SYNTHETIC FIBER BAYER AKTIENGESELLSCHAFT (DE) 1986-12-16 US disclosed
US-4621138-A Triphendioxazine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1986-11-04 US disclosed
US-4591643-A Triphendioxazine reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1986-05-27 US disclosed
EP-0158882-A2 Triphenedioxazine dyes BAYER AG (DE) 1985-10-23 EP disclosed
EP-0144580-A2 Triphendioxazine dyes BAYER AG (DE) 1985-06-19 EP disclosed
EP-0141996-A2 Triphendioxazine reactive dyes BAYER AG (DE) 1985-05-22 EP disclosed