SCHEMBL8164591

SCHEMBL8164591

NCCOc1ccc(N)cc1S(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.45
RAPGEF4 Q8WZA2 1/20 0.43
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 4/20 0.41
TDP1 Q9NUW8 4/20 0.41
POLB P06746 3/20 0.41
GAA P10253 3/20 0.41
MAPT P10636 3/20 0.41
RECQL P46063 3/20 0.41
CASP6 P55212 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NSD2 O96028 2/20 0.41
APEX1 P27695 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ELAVL1 Q15717 1/20 0.39
CASP1 P29466 3/20 0.39
CASP7 P55210 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
Hydrochloric Acid SCHEMBL9812898 0.98 HSD17B10 (0.44) HSD17B10RAPGEF4ALDH1A1KDM4ETDP1
SCHEMBL10477944 0.92 HSD17B10 (0.44) HSD17B10RAPGEF4ALDH1A1KDM4ETDP1
SCHEMBL9812902 0.87 HSD17B10 (0.45) HSD17B10RAPGEF4ALDH1A1KDM4ETDP1
SCHEMBL1606275 0.86 MAPT (0.57) HSD17B10RAPGEF4ALDH1A1KDM4ETDP1
SCHEMBL10788421 0.84 HSD17B10 (0.46) HSD17B10RAPGEF4ALDH1A1KDM4ETDP1
SCHEMBL156095 0.84 HSD17B10 (0.49) HSD17B10RAPGEF4ALDH1A1KDM4ETDP1
SCHEMBL10691817 0.84 HSD17B10 (0.36) HSD17B10RAPGEF4ALDH1A1KDM4ETDP1
SCHEMBL11111265 0.83 HSD17B10 (0.45) HSD17B10RAPGEF4ALDH1A1KDM4ETDP1
SCHEMBL5677336 0.82 HSD17B10 (0.63) HSD17B10RAPGEF4ALDH1A1KDM4ETDP1
SCHEMBL3445240 0.82 S1PR3 (0.53) HSD17B10ALDH1A1KDM4EPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638609-B2 Trisazo-dyestuffs FUJIFILM IMAGING COLORANTS LIMITED (GB) 2009-12-29 US disclosed
US-7638609-B2 Trisazo-dyestuffs FUJIFILM IMAGING COLORANTS LIMITED (GB) 2009-12-29 US disclosed
US-20070062409-A1 Trisazo-dyestuffs FUJIFILM IMAGING COLORANTS LIMITED (GB) 2007-03-22 US disclosed
US-20070062409-A1 Trisazo-dyestuffs FUJIFILM IMAGING COLORANTS LIMITED (GB) 2007-03-22 US disclosed
EP-0576123-B1 Watersoluble triphenodioxazine dye AVECIA LTD (GB) 2000-03-01 EP disclosed
US-5750689-A Triphendioxazine compounds ZENECA LIMITED (GB) 1998-05-12 US disclosed
US-5731421-A COLORFASTNESS CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-03-24 US disclosed
EP-0729491-A1 TRIPHENODIOXAZINE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1996-09-04 EP disclosed
US-5530104-A SUITABLE FOR DYEING AND PRINTING O CELLULOSE-CONTAINING FIBER MATERIAL; GOOD COLORFASTNESS CIBA-GEIGY CORPORATION (US) 1996-06-25 US disclosed
US-5498712-A Triphenodioxazine dyes ZENECA LIMITED (GB) 1996-03-12 US disclosed
WO-1995014060-A1 TRIPHENODIOXAZINE COMPOUNDS ZENECA LIMITED (GB) 1995-05-26 WO disclosed
US-5391718-A Suitable for dyeing and printing of cellulose containing fibers; good colorfastness CIBA-GEIGY CORPORATION (US) 1995-02-21 US disclosed
EP-0576123-A1 Watersoluble triphenodioxazine dye ZENECA LIMITED (GB) 1993-12-29 EP disclosed
EP-0559617-A2 Reactive dyes, method for their preparation and the use thereof CIBA-GEIGY AG (CH) 1993-09-08 EP disclosed