SCHEMBL6598756

SCHEMBL6598756

O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cc[c]c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.50
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
CYP1A2 P05177 3/20 0.40
COMT P21964 1/20 0.37
SNCA P37840 2/20 0.36
CHAT P28329 1/20 0.36
CDK2 P24941 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
NSD2 O96028 1/20 0.35
POLB P06746 1/20 0.35
IDE P14735 1/20 0.35
DUSP3 P51452 1/20 0.35
CCR6 P51684 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 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
SCHEMBL6631749 0.87 TTR (0.43) TTRAURKAAURKBCYP1A2COMT
SCHEMBL7580771 0.86 AURKB (0.49) TTRAURKAAURKBCYP1A2COMT
SCHEMBL1413154 0.78 TTR (0.34) TTRAURKAAURKBCYP1A2COMT
SCHEMBL30233642 0.77 TTR (0.75) TTRAURKAAURKBCYP1A2COMT
SCHEMBL29363198 0.77 TTR (0.75) TTRAURKAAURKBCYP1A2COMT
SCHEMBL6242 0.77 TTR (0.75) TTRAURKAAURKBCYP1A2COMT
SCHEMBL5031748 0.76 TTR (0.53) TTRAURKAAURKBCYP1A2COMT
SCHEMBL1376915 0.76 TTR (0.53) TTRAURKAAURKBCYP1A2COMT
SCHEMBL8818725 0.76 TTR (0.33) TTR
SCHEMBL7574819 0.76 CYP1A2 (0.39) TTRAURKAAURKBCYP1A2COMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1276035-C Water-color ink MITSUI CHEMICALS INC (JP) 2006-09-20 CN disclosed
CN-1558934-A Water-color ink 三井化学株式会社 2004-12-29 CN disclosed
US-20040231558-A1 Has a clear hue, high light fastness and high moisture resistance MITSUI CHEMICALS, INC. (JP) 2004-11-25 US disclosed
EP-1441013-A1 WATERCOLOR INK Mitsui Chemicals, Inc. (JP) 2004-07-28 EP disclosed
EP-1029002-B1 REACTIVE DYES CONTAINING A HALOBENZENE NUCLEUS DYSTAR TEXTILFARBEN GMBH & CO (DE) 2004-05-12 EP disclosed
US-20030191293-A1 Reactive dyes containing a halobenzene nucleus BASF AKIENGESELLSCHAFT (DE) 2003-10-09 US disclosed
US-20030158395-A1 Reactive dyes containing a halobenzene nucleus BASF AKIENGESELLSCHAFT (DE) 2003-08-21 US disclosed
EP-1333062-A1 Reactive dyes containing a halobenzene nucleus DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2003-08-06 EP disclosed
US-6399751-B1 REACTION PRODUCT BASF AKTIENGESELLSCHAFT (DE) 2002-06-04 US disclosed
EP-0876430-B1 BRANCHED POLYAMINE LINKED REACTIVE DYES AND COLORATION PROCESS USING THEM SYNGENTA LTD (GB) 2001-08-29 EP disclosed
WO-1997019137-A1 NEGATIVE DYES AND COLORATION PROCESS USING THEM ZENECA LIMITED (GB) 1997-05-29 WO disclosed
EP-0559310-B1 Ink compositions ZENECA LTD (GB) 1996-04-03 EP disclosed
EP-0395207-B1 New reactive dyes ZENECA LTD (GB) 1995-07-12 EP disclosed
US-5383960-A Ink jet printing inks ZENECA LIMITED (GB) 1995-01-24 US disclosed
US-5373094-A Reactive dyes containing a 2,6-difluoro-3,5-dichloropyridine group ZENECA LIMITED (GB) 1994-12-13 US disclosed
EP-0576143-A2 Reactive dyes containing a 2,6-difluoro-3,5-dichloropyridine-4-ylamino group ZENECA LIMITED (GB) 1993-12-29 EP disclosed
EP-0559310-A1 Ink compositions ZENECA LIMITED (GB) 1993-09-08 EP disclosed
US-5175261-A Useful for coloring cellulose materials, animal furs or leather IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-12-29 US disclosed
EP-0471454-A1 Reactive pyridone azo dyestuffs ZENECA LIMITED (GB) 1992-02-19 EP disclosed
EP-0395207-A1 New reactive dyes ZENECA LIMITED (GB) 1990-10-31 EP disclosed