SCHEMBL6937875

SCHEMBL6937875

Nc1cc(Br)ccc1S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
TTR P02766 1/20 0.41
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 3/20 0.38
MAPT P10636 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CASP6 P55212 1/20 0.38
POLB P06746 1/20 0.38
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
PLAU P00749 1/20 0.37
NQO1 P15559 1/20 0.37
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.36
CA2 P00918 3/20 0.35

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
SCHEMBL6938230 0.83 KDM4E (0.47) KDM4EGLATTRAURKAAURKB
SCHEMBL30714245 0.81 CA2 (0.50) KDM4EGLAALDH1A1CYP2C9CYP2C19
SCHEMBL5307516 0.81 CA2 (0.50) KDM4EGLAALDH1A1CYP2C9CYP2C19
SCHEMBL5443814 0.79 KDM4E (0.38) KDM4EGLAALDH1A1MAPTPOLB
SCHEMBL2649761 0.79 L3MBTL1 (0.47) KDM4EGLAALDH1A1MAPTPOLB
SCHEMBL17533120 0.79 KDM4E (0.38) KDM4EGLAALDH1A1MAPTPOLB
SCHEMBL2838846 0.78 S100A4 (0.48) CA12CA9GRIK1GRIK2CA2
SCHEMBL2172732 0.78 ALOX15 (0.44) ALDH1A1MAPTCYP2C9CYP2C19CA12
SCHEMBL31357037 0.78 ALOX15 (0.44) ALDH1A1MAPTCYP2C9CYP2C19CA12
SCHEMBL343300 0.78 ALDH1A1 (0.50) KDM4ETTRAURKAAURKBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777703-B1 DICYCLIC METAL COMPLEX FORMAZAN DERIVATIVES, PROCESS FOR PRODUCING THE SAME, COMPOSITION CONTAINING THE SAME AND DYEING PROCESS EMPLOYING THE SAME KYUNGIN SYNTHETIC CORP (KR) 2003-06-25 EP disclosed
US-6407220-B1 FOR DYEING AND PRINTING OF MATERIALS CONTAINING CELLULOSE FIBERS; HIGH FIXATION AND GOOD BUILD-UP EVERLIGHT USA, INC. 2002-06-18 US disclosed
US-5858026-A EXCELLENT DYEING PROPERTIES COMPARED TO THE TRICYCLIC METAL FORMAZAN COMPOUNDS; POST-DYEING SUNLIGHT AND WASHFASTNESS KYUNG-IN SYNTHETIC CORPORATION (KR) 1999-01-12 US disclosed
EP-0777703-A2 DICYCLIC METAL COMPLEX FORMAZAN DERIVATIVES, PROCESS FOR PRODUCING THE SAME, COMPOSITION CONTAINING THE SAME AND DYEING PROCESS EMPLOYING THE SAME Kyungin Synthetic Corporation (KR) 1997-06-11 EP disclosed
US-5596083-A CELLULOSE, POLYAMIDES, POLYURETHANES OR LEATHER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-01-21 US disclosed
WO-1996033240-A2 DICYCLIC METAL COMPLEX FORMAZAN DERIVATIVES, PROCESS FOR PRODUCING THE SAME, COMPOSITION CONTAINING THE SAME AND DYEING PROCESS EMPLOYING THE SAME KYUNG-IN SYNTHETIC CORPORATION (KR) 1996-10-24 WO disclosed
CN-1131169-A Monoazo compounds and method for dyeing or printing fiber materials using the same SUMITOMO CHEMICAL CO (JP) 1996-09-18 CN disclosed
EP-0719840-A1 Monoazo compounds and method for dyeing or printing fiber materials using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-07-03 EP disclosed
EP-0374815-B1 Complex copper formazane compounds, process for their preparation and their use as dyestuffs HOECHST AG (DE) 1994-05-04 EP disclosed
US-5028700-A For cotton, wool, polyamide, red, violet HOECHST AKTIENGESELLSCHAFT (DE) 1991-07-02 US disclosed
EP-0374815-A1 Complex copper formazane compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-27 EP disclosed
EP-0135040-B1 COPPER COMPLEX FORMAZAN COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1987-06-24 EP disclosed
US-4607098-A Bicyclic copper complex formazan compounds having a fiber-reactive group of the vinyl sulfone series, containing a fiber-reactive group suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1986-08-19 US disclosed
EP-0135040-A1 Copper complex formazan compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1985-03-27 EP disclosed