SCHEMBL6472138

SCHEMBL6472138

Nc1c(S(=O)(=O)O)ccc2ccc(S(=O)(=O)O)c(O)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
CYP1A2 P05177 3/20 0.40
CTRB1 P17538 1/20 0.40
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 4/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
THRB P10828 3/20 0.39
HPGD P15428 3/20 0.39
RECQL P46063 3/20 0.39
BLM P54132 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TP53 P04637 2/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 2/20 0.39
MAPK1 P28482 2/20 0.39
BRCA1 P38398 2/20 0.39
CYP2C9 P11712 2/20 0.39

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
SCHEMBL29318860 0.89 AURKA (0.46) AURKAAURKBCYP1A2CTRB1ALDH1A1
SCHEMBL7027692 0.80 AURKA (0.53) AURKAAURKBCYP1A2CTRB1ALDH1A1
SCHEMBL3205852 0.80 AURKA (0.57) AURKAAURKBCYP1A2CTRB1ALDH1A1
SCHEMBL1755221 0.79 TTR (0.49) AURKAAURKBCYP1A2CTRB1ALDH1A1
SCHEMBL28065899 0.77 TTR (0.54) AURKAAURKBCYP1A2CTRB1ALDH1A1
SCHEMBL27881048 0.76 TTR (0.46) AURKAAURKBALDH1A1HSD17B10MEN1
SCHEMBL28757570 0.76 AURKA (0.51) AURKAAURKBCYP1A2CTRB1ALDH1A1
SCHEMBL3912123 0.74 NT5E (0.58) AURKAAURKBCYP1A2ALDH1A1HSD17B10
SCHEMBL6864856 0.74 NT5E (0.58) AURKAAURKBCYP1A2ALDH1A1HSD17B10
SCHEMBL10881186 0.74 AURKA (0.49) AURKAAURKBCYP1A2ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1404512-A Dye mixture comprising water-soluble fiber-reactive dyes, preparation thereof and use thereof DYSTAR TEXTILFARBEN GMBH & CO (DE) 2003-03-19 CN claimed
EP-1259569-A1 DYE MIXTURE COMPRISING WATER-SOLUBLE FIBER-REACTIVE DYES, PREPARATION THEREOF AND USE THEREOF DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2002-11-27 EP claimed
WO-2001062856-A1 DYE MIXTURE COMPRISING WATER-SOLUBLE FIBER-REACTIVE DYES, PREPARATION THEREOF AND USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2001-08-30 WO claimed
US-6916350-B2 Dye mixture of water-soluble fiber-reactive azo dyes, method for the production and use thereof DYSTAR TEXTIFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2005-07-12 US disclosed
US-20030145396-A1 Dye mixture of water-soluble fiber-reactive azo dyes, method for the production and use thereof DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2003-08-07 US disclosed
EP-1259569-A1 DYE MIXTURE COMPRISING WATER-SOLUBLE FIBER-REACTIVE DYES, PREPARATION THEREOF AND USE THEREOF DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2002-11-27 EP disclosed
WO-2001062856-A1 DYE MIXTURE COMPRISING WATER-SOLUBLE FIBER-REACTIVE DYES, PREPARATION THEREOF AND USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2001-08-30 WO disclosed