SCHEMBL4650779

SCHEMBL4650779

O=S(=O)(O)c1ccc(S(=O)(=O)O)c(Nc2n[c]nc(F)n2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.35
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA4 P22748 3/20 0.33
CA6 P23280 3/20 0.33
CA7 P43166 3/20 0.33
CA9 Q16790 3/20 0.33
CA14 Q9ULX7 3/20 0.33
CA13 Q8N1Q1 2/20 0.33
CASP6 P55212 2/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CASR P41180 1/20 0.32
TIMP3 P35625 1/20 0.32
FUT8 Q9BYC5 1/20 0.32
CHAT P28329 3/20 0.31
ENPP3 O14638 1/20 0.31

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
SCHEMBL7717587 0.90 TIMP3 (0.39) SNCACA12CA1CA2CA4
SCHEMBL7718114 0.86 SNCA (0.40) SNCACA12CA1CA2CA4
SCHEMBL8040793 0.86 ALDH1A1 (0.35) SNCACA12CA1CA2CA4
SCHEMBL9009807 0.85 CA12 (0.47) SNCACA12CA1CA2CA4
SCHEMBL7720114 0.85 CASP6 (0.39) SNCACA12CA1CA2CA4
SCHEMBL4650997 0.85 FUT8 (0.39) SNCACA12CA1CA2CA9
SCHEMBL7712957 0.84 ALDH1A1 (0.39) SNCACA1CA2ALDH1A1CYP2C9
SCHEMBL7718715 0.84 LRRK2 (0.40) SNCACA12CA1CA2CA9
SCHEMBL7716378 0.84 SNCA (0.40) SNCACA12CA1CA2CA4
SCHEMBL4649932 0.83 TTR (0.40) SNCACA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808015-A RED FIBER REACTIVE, ACID DYES FOR CELLULOSE FIBERS, COTTON, WOOL, SILK, POLYAMIDES, POLYESTERS, POLYOLEFINS AND POLYACRYLONITRILE; COLORFASTNESS; BRIGHTNESS; TRIAZINE DYES BAYER AKTIENGESELLSCHAFT (DE) 1998-09-15 US claimed
EP-1397438-B1 DYE MIXTURES OF FIBER-REACTIVE AZODYES AND THE USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO (DE) 2008-09-10 EP disclosed
US-7060114-B2 Dye mixtures of fiber-reactive azo dyes and the use thereof DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2006-06-13 US disclosed
EP-1397439-B1 DYE MIXTURES OF FIBER-REACTIVE AZODYES AND USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO (DE) 2005-11-16 EP disclosed
US-6962611-B2 Dye mixtures of fiber-reactive azodyes and use thereof DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2005-11-08 US disclosed
US-6946006-B2 Black dye mixtures of fiber-reactive AZO dyes and use thereof for dyeing material containing hydroxy- and/or carboxamido groups DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2005-09-20 US disclosed
US-20040148714-A1 Dye mixtures of fiber-reactive azodyes and the use thereof DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2004-08-05 US disclosed
US-20040139567-A1 Dye mixtures of fiber-reactive azodyes and use thereof DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2004-07-22 US disclosed
EP-1397438-A1 DYE MIXTURES OF FIBER-REACTIVE AZODYES AND THE USE THEREOF DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2004-03-17 EP disclosed
EP-1397439-A2 DYE MIXTURES OF FIBER-REACTIVE AZODYES AND USE THEREOF DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2004-03-17 EP disclosed
US-4638054-A Aminonaphthol bisazo reactive dyes BAYER AKTIENGESELLSCHAFT (DE) 1987-01-20 US disclosed
US-4621138-A Triphendioxazine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1986-11-04 US disclosed
EP-0108924-B1 HEAVY METAL-CONTAINING FORMAZANE DYESTUFFS, METHODS FOR THEIR PREPARATION AND THEIR USE IN THE DYEING AND PRINTING OF FIBRE MATERIALS BAYER AG (DE) 1986-07-02 EP disclosed
US-4591643-A Triphendioxazine reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1986-05-27 US disclosed
US-4556707-A DYEING CELLULOSE FIBERS AND POLYAMIDE FIBERS BAYER AKTIENGESELLSCHAFT (DE) 1985-12-03 US disclosed
EP-0080094-B1 COPPER-CONTAINING REACTIVE DISAZO DYESTUFFS; PROCESS FOR THEIR PREPARATION AND THEIR USE IN DYEING AND PRINTING HYDROXYL AND/OR NITROGEN CONTAINING MATERIALS BAYER AG (DE) 1985-04-17 EP disclosed
US-4460505-A Dyestuffs, processes for their preparation and their use for dyeing materials containing hydroxyl groups or nitrogen BAYER AKTIENGESELLSCHAFT (DE) 1984-07-17 US disclosed
EP-0080094-A1 Copper-containing reactive disazo dyestuffs; process for their preparation and their use in dyeing and printing hydroxyl and/or nitrogen containing materials BAYER AG (DE) 1983-06-01 EP disclosed
EP-0013936-B1 REACTIVE AZO DYESTUFFS, THEIR PREPARATION AND THEIR USE IN DYEING MATERIALS CONTAINING HYDROXYL GROUPS AND AMIDE GROUPS BAYER AG (DE) 1982-09-22 EP disclosed
US-4299764-A Azo reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1981-11-10 US disclosed