SCHEMBL3481099

SCHEMBL3481099

Nc1c(S(=O)(=O)O)cccc1S(=O)(=O)CCOS(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.41
APEX1 P27695 1/20 0.36
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
CYP1A2 P05177 1/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FABP4 P15090 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
MAPK14 Q16539 1/20 0.32
NR4A1 P22736 1/20 0.31
THRB P10828 1/20 0.31
SUMO2 P61956 1/20 0.30
SUMO1 P63165 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP2 Q9HC62 1/20 0.30
SENP1 Q9P0U3 1/20 0.30

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
SCHEMBL11017137 0.86 CDK2 (0.38) TTRAPEX1AURKAAURKBTDP1
SCHEMBL3708176 0.83 MYC (0.36) TTRAPEX1CYP1A2HSD17B10TSHR
SCHEMBL8075768 0.81 TTR (0.39) TTRAPEX1HSD17B10TSHRALDH1A1
SCHEMBL14495128 0.81 MYC (0.36) TTRAPEX1CYP1A2HSD17B10TSHR
SCHEMBL10645525 0.80 TTR (0.35) TTRAPEX1AURKAAURKBCYP1A2
SCHEMBL1170678 0.80 KYNU (0.47) TTRAPEX1HSD17B10ALDH1A1
SCHEMBL599747 0.78 TTR (0.59) TTRAPEX1AURKAAURKBCYP1A2
SCHEMBL9178147 0.78 TTR (0.58) TTRAPEX1HSD17B10TSHRALDH1A1
SCHEMBL9335165 0.77 CA2 (0.39) AURKAAURKBHSD17B10ALDH1A1THRB
SCHEMBL7624190 0.77 PLAU (0.43) TTRAPEX1HSD17B10TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7708786-B2 Dye mixtures of fiber-reactive azo dyes, their preparation and use DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2010-05-04 US disclosed
US-20090025152-A1 DYE MIXTURES OF FIBER-REACTIVE AZO DYES, THEIR PREPARATION AND USE DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2009-01-29 US disclosed
US-7455699-B2 Dye mixtures of fiber-reactive azo dyes, their preparation and use DYSTAR TEXILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-11-25 US disclosed
US-20050166339-A1 Dye mixtures of fiber-reactive azo dyes, their preparation and use DYSTAR TEXTILFARBEN GMBH & CO.DEUTSCHLAND KG (DE) 2005-08-04 US disclosed