SCHEMBL9655481

SCHEMBL9655481

O=C1C=C(Cl)C(=O)C(c2ccc([N+](=O)[O-])cc2)=C1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
GAA P10253 1/20 0.41
APP P05067 1/20 0.40
MAPT P10636 4/20 0.39
LMNA P02545 2/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
HSD17B10 Q99714 3/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 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
SCHEMBL9655470 0.80 HSD17B10 (0.50) CA12CA1CA2CA9CA14
SCHEMBL9653460 0.79 CYP2D6 (0.44) GAAMAPTLMNAGSK3BHSD17B10
SCHEMBL9654283 0.75 P2RX7 (0.40) MAPTHSD17B10CYP2D6CYP2C9HPGD
SCHEMBL28006408 0.69 PTPRC (0.58) CA12CA1CA2CA9MAPT
SCHEMBL28198 0.67 CA1 (0.67) CA12CA1CA2CA9CA14
SCHEMBL6423919 0.67 CA1 (0.67) CA12CA1CA2CA9CA14
SCHEMBL9664684 0.67 MAPK1 (0.56) CA12CA1CA2CA9CA14
SCHEMBL2333608 0.67 CYP1A2 (0.60) CA12CA1CA2CA9CA14
Water SCHEMBL28670631 0.65 CA1 (0.64) CA12CA1CA2CA9CA14
SCHEMBL16140281 0.65 ALDH1A1 (0.65) CA12CA1CA2CA9CA14

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 20 patents. 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-0255020-A2 Water soluble triphenodioxazine compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1988-02-03 EP disclosed
EP-0158882-B1 TRIPHENEDIOXAZINE DYES BAYER AG (DE) 1987-12-16 EP disclosed
EP-0141996-B1 TRIPHENDIOXAZINE REACTIVE DYES BAYER AG (DE) 1987-11-25 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