SCHEMBL9655281

SCHEMBL9655281

CC1=CC(=O)C(C(C)C)=C(Br)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 1/20 0.42
PLK1 P53350 1/20 0.42
PLK2 Q9NYY3 1/20 0.42
MAPT P10636 4/20 0.41
MAPK1 P28482 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 3/20 0.41
BLM P54132 3/20 0.41
KMT2A Q03164 3/20 0.41
USP2 O75604 2/20 0.41
GAA P10253 2/20 0.41
TP53 P04637 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
HSPD1 P10809 2/20 0.41
IDO1 P14902 2/20 0.41
HPGD P15428 2/20 0.41
CDC25A P30304 2/20 0.41
CDC25B P30305 2/20 0.41
HSPE1 P61604 2/20 0.41

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
SCHEMBL28363103 0.75 MAPT (0.42) EEF2KPLK1PLK2MAPTMAPK1
SCHEMBL27823443 0.73 ALDH1A1 (0.41) EEF2KPLK1PLK2MAPTMAPK1
Dibromothymoquinone SCHEMBL919786 0.67 ALDH1A1 (0.45) ALDH1A1TP53CYP1A2CYP3A4HPGD
SCHEMBL5589701 0.66 CDC25A (0.36) CDC25ACDC25BAURKAAURKBPTPN1
SCHEMBL3624714 0.65 ALDH1A1 (0.50) EEF2KPLK1PLK2MAPTMAPK1
SCHEMBL9652037 0.64 MEN1 (0.34) MAPTMAPK1MEN1ALDH1A1BLM
Dibromothymoquinone SCHEMBL29116325 0.64 ALDH1A1 (0.42) ALDH1A1TP53CYP1A2CYP3A4HPGD
SCHEMBL5589493 0.62 ALDH1A1 (0.34) MAPTMAPK1MEN1ALDH1A1BLM
SCHEMBL28152641 0.62 MAPT (0.44) EEF2KPLK1PLK2MAPTMAPK1
SCHEMBL11738492 0.62 EEF2K (0.41) EEF2KPLK1PLK2MAPTMAPK1

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