SCHEMBL7720113

SCHEMBL7720113

C=CS(=O)(=O)c1ccc(C(=O)O)c(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
TDP1 Q9NUW8 4/20 0.47
CYP3A4 P08684 2/20 0.47
ALOX15 P16050 1/20 0.47
KDM4E B2RXH2 7/20 0.45
HSD17B10 Q99714 4/20 0.45
HPGD P15428 2/20 0.45
PPM1B O75688 1/20 0.42
MAPT P10636 8/20 0.42
LMNA P02545 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
XBP1 P17861 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
MDM2 Q00987 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
IDO1 P14902 1/20 0.41

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
SCHEMBL344111 0.84 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4ALOX15KDM4E
SCHEMBL712851 0.82 MAPT (0.57) ALDH1A1TDP1CYP3A4ALOX15KDM4E
SCHEMBL1018611 0.80 LMNA (0.61) ALDH1A1TDP1CYP3A4ALOX15KDM4E
SCHEMBL1462829 0.80 CA2 (0.60) ALDH1A1TDP1CYP3A4ALOX15KDM4E
SCHEMBL5674108 0.79 ALDH1A1 (0.67) ALDH1A1TDP1ALOX15KDM4EHSD17B10
SCHEMBL9336200 0.77 ALDH1A1 (0.46) ALDH1A1TDP1KDM4EHSD17B10MAPT
SCHEMBL2514721 0.76 ALDH1A1 (0.47) ALDH1A1TDP1CYP3A4ALOX15KDM4E
SCHEMBL11028304 0.75 MAPT (0.46) ALDH1A1CYP3A4ALOX15KDM4EHSD17B10
SCHEMBL11025338 0.75 ALDH1A1 (0.44) ALDH1A1TDP1CYP3A4KDM4EHSD17B10
SCHEMBL5673659 0.75 HSD17B10 (0.52) ALDH1A1TDP1CYP3A4ALOX15KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376656-B1 DISAZO DYES, TRIAZINE DYES DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2002-04-23 US disclosed
EP-0652262-B1 Reactive dyestuffs, their preparation and use BAYER AG (DE) 2000-07-12 EP disclosed
US-6025478-A HIGH REACTIVITY AND FIXING CAPACITY, GOOD LOW TEMPERATURE DYEING, GOOD COLOR INTENSITY, LIGHTFASTNESS, WASHFASTNESS BAYER AG (DE) 2000-02-15 US disclosed
EP-0641838-B1 Reactive dye-stuffs on basis of a substituted barbituric acid BAYER AG (DE) 1999-11-10 EP disclosed
EP-0542082-B1 Process for continuously reacting difluortriazinyl compounds with amines BAYER AG (DE) 1998-02-25 EP disclosed
EP-0497174-B1 Bifunctional reactive dyes containing vinylsulfone/pyrimidine groups BAYER AG (DE) 1997-03-05 EP disclosed
EP-0568876-B1 Reactive dyes, their preparation and their use BAYER AG (DE) 1996-08-28 EP disclosed
US-5502174-A Reactive dyestuffs based on a substituted barbituric acid BAYER AKTIENGESELLSCHAFT (DE) 1996-03-26 US disclosed
US-5463031-A Printing, dyeing cellulose and organonitrogen compounds BAYER AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed
EP-0652262-A1 Reactive dyestuffs, their preparation and use BAYER AG (DE) 1995-05-10 EP disclosed
EP-0174275-A1 Process for dyeing or printing fibrous textile materials with reactive dyes CIBA-GEIGY AG (CH) 1986-03-12 EP disclosed
EP-0167490-A1 Reactive dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1986-01-08 EP disclosed
EP-0079563-B1 WATER SOLUBLE 1:2 METAL COMPLEX AZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1986-01-08 EP disclosed
EP-0141776-A1 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1985-05-15 EP disclosed
EP-0134193-A1 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1985-03-13 EP disclosed
EP-0133843-A1 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1985-03-06 EP disclosed
EP-0128340-A1 Reactive disazo dyes BAYER AG (DE) 1984-12-19 EP disclosed
EP-0040806-B1 WATER-SOLUBLE, COLOURED COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1984-09-19 EP disclosed
EP-0079563-A2 Water soluble 1:2 metal complex azo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1983-05-25 EP disclosed
EP-0040806-A2 Water-soluble, coloured compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1981-12-02 EP disclosed