SCHEMBL7067537

SCHEMBL7067537

Nc1cc[c]c2cccc(S(=O)(=O)O)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.46
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
FABP4 P15090 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
MAPK14 Q16539 1/20 0.36
NR4A1 P22736 2/20 0.35
SNCA P37840 2/20 0.33
CHAT P28329 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CYP2C9 P11712 1/20 0.32
CA4 P22748 1/20 0.32

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
SCHEMBL6633412 0.86 TTR (0.39) TTRAURKAAURKBFABP4CCNA2
SCHEMBL11489488 0.73 TTR (0.45) TTRAURKAAURKBFABP4CCNA2
SCHEMBL29360969 0.73 TTR (0.58) TTRAURKAAURKBFABP4CCNA2
SCHEMBL179823 0.73 TTR (0.58) TTRAURKAAURKBFABP4CCNA2
SCHEMBL21240726 0.72 TTR (0.56) TTRAURKAAURKBFABP4CCNA2
SCHEMBL2984538 0.72 TTR (0.56) TTRAURKAAURKBFABP4CCNA2
SCHEMBL11481679 0.72 TTR (0.67) TTRAURKAAURKBFABP4CCNA2
Water SCHEMBL7765550 0.72 TTR (0.56) TTRAURKAAURKBFABP4CCNA2
SCHEMBL1413194 0.72 TTR (0.39) TTRAURKAAURKBFABP4CCNA2
SCHEMBL159399 0.70 AURKA (0.75) TTRAURKAAURKBFABP4CCNA2

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 6 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
EP-0765918-B1 Reactive dye preparations DYSTAR TEXTILFARBEN GMBH & CO (DE) 1999-07-28 EP 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-0765918-A2 Reactive dye preparations DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1997-04-02 EP disclosed
EP-0765965-A2 Process for deying synthetic fibrous polyamid materials DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1997-04-02 EP disclosed