SCHEMBL7048362

SCHEMBL7048362

CC(=O)Nc1c[c]c(S(=O)(=O)O)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
CASP6 P55212 1/20 0.38
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA9 Q16790 4/20 0.36
NPC1 O15118 3/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
BACE1 P56817 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ESR1 P03372 1/20 0.34

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
SCHEMBL10535183 0.84 CASP6 (0.41) POLBCYP3A4CYP2C19ALDH1A1HPGD
SCHEMBL3914567 0.81 CASP6 (0.41) POLBCYP3A4CYP2C19ALDH1A1CASP6
SCHEMBL2468059 0.75
SCHEMBL5049711 0.72 BRD4 (0.39)
SCHEMBL5508100 0.70 CA12 (0.31) CA1CA2CA9TSHR
SCHEMBL29819513 0.70 ALDH1A1 (0.58) POLBCYP3A4CYP2C19ALDH1A1HPGD
SCHEMBL12555528 0.70 CASP6 (0.57) POLBCYP3A4CYP2C19ALDH1A1HPGD
SCHEMBL6592103 0.70 CA1 (0.46) POLBCYP3A4CYP2C19ALDH1A1HPGD
SCHEMBL5891041 0.69 CASP6 (0.56) POLBCYP3A4CYP2C19ALDH1A1HPGD
SCHEMBL3914583 0.69 ENPP2 (0.49) ALDH1A1HPGDCA1CA2CA9

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-0765965-B1 Process for deying synthetic fibrous polyamid materials DYSTAR TEXTILFARBEN GMBH & CO (DE) 2003-06-04 EP disclosed
WO-2003006560-A2 AQUEOUS INK FORMULATIONS FOR INKJET PRINTING DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2003-01-23 WO disclosed
EP-1127923-A2 Water-soluble fibre-reactive dyestuffs, process for their preparation and their use DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2001-08-29 EP disclosed
EP-0971986-B1 REACTIVE DYES CONTAINING A PERMANENT QUATERNARY AMMONIUM GROUP DYSTAR L P (US) 2001-06-27 EP disclosed
EP-0838504-B1 Water-soluble fiber-reactive dyes, process for their preparation and the use thereof DYSTAR TEXTILFARBEN GMBH & CO (DE) 2000-06-07 EP disclosed
US-6060591-A FOR DYEING A MATERIAL CONTAINING HYDROXY OR CARBOXAMIDE GROUPS OR BOTH DY STAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND K.G. (DE) 2000-05-09 US disclosed
EP-0971986-A1 REACTIVE DYES CONTAINING A PERMANENT QUATERNARY AMMONIUM GROUP DyStar L.P. (US) 2000-01-19 EP disclosed
EP-0765918-B1 Reactive dye preparations DYSTAR TEXTILFARBEN GMBH & CO (DE) 1999-07-28 EP disclosed
US-5925745-A DIAMINO-1,3,5-TRIAZINE DYE DERIVATIVES; COLOR- AND WASHFASTNESS; CELLULOSE, WOOL DYSTAR, L.P. (US) 1999-07-20 US disclosed
US-5834601-A DYEING CELLULOSE, WOOL, POLYAMIDE DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 1998-11-10 US disclosed
WO-1998042785-A1 REACTIVE DYES CONTAINING A PERMANENT QUATERNARY AMMONIUM GROUP DYSTAR L. P. (US) 1998-10-01 WO disclosed
US-5810890-A USING SPECIFIED MIXTURE OF DYES; INCREASED BRIGHTNESS AND LEVELNESS DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 1998-09-22 US disclosed
US-5803930-A MIXTURE OF TWO DIFFERENT WATER SOLUBLE DYES; DYEING SYNTHETIC POLYAMIDES DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 1998-09-08 US disclosed
EP-0848042-A2 Water-soluble fiber-reactive dyes, process for their preparation and the use thereof DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1998-06-17 EP disclosed
EP-0838504-A1 Water-soluble fiber-reactive dyes, process for their preparation and the use thereof DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1998-04-29 EP disclosed
EP-0629667-B1 Water-soluble fiber-reactive dyes, process for their preparation and the use thereof HOECHST AG (DE) 1998-02-25 EP disclosed
EP-0765965-A2 Process for deying synthetic fibrous polyamid materials DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1997-04-02 EP disclosed
EP-0765918-A2 Reactive dye preparations DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1997-04-02 EP disclosed
EP-0629667-A1 Water-soluble fiber-reactive dyes, process for their preparation and the use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1994-12-21 EP disclosed
EP-0624630-A1 Water-soluble fiber-reactive dyes, process for their preparation and the use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1994-11-17 EP disclosed