SCHEMBL3914567

SCHEMBL3914567

CC(=O)Nc1cc(S(=O)(=O)O)[c]cc1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.41
ENPP2 Q13822 1/20 0.38
POLB P06746 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
CA2 P00918 5/20 0.36
CA3 P07451 1/20 0.36
CA1 P00915 4/20 0.36
CA9 Q16790 4/20 0.36
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
PHLPP2 Q6ZVD8 1/20 0.34
CASR P41180 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33

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
SCHEMBL10535183 0.87 CASP6 (0.41) CASP6ENPP2POLBCYP3A4CYP2C19
SCHEMBL7048362 0.81 POLB (0.40) CASP6POLBCYP3A4CYP2C19CA2
SCHEMBL6633299 0.73 LMNA (0.31)
SCHEMBL3914583 0.72 ENPP2 (0.49) ENPP2CA2CA1CA9KMT2A
SCHEMBL10579358 0.72 CASP6 (0.42) CASP6ENPP2POLBCYP3A4CYP2C19
SCHEMBL7893088 0.72 CASP6 (0.43) CASP6ENPP2POLBCYP3A4CA2
SCHEMBL5049711 0.72 BRD4 (0.39) CASR
SCHEMBL7890093 0.72 CA2 (0.38) CASP6ENPP2POLBCA2CA3
SCHEMBL8592935 0.70 CASP6 (0.61) CASP6ENPP2POLBCYP3A4CA2
SCHEMBL1939964 0.70 NPC1 (0.44) CASP6ENPP2POLBCYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7481522-B2 Compositions and inks containing disazo dyes FUJIFILM IMAGING COLORANTS LIMITED (GB) 2009-01-27 US claimed
EP-0303081-B1 WATER SOLUBLE DISAZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-02 EP claimed
US-5055565-A Fiber-reactive dyes HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-08 US claimed
EP-1521808-B1 COMPOSITIONS AND INKS CONTAINING DISAZO DYES FUJIFILM IMAGING COLORANTS LTD (GB) 2012-08-01 EP disclosed
US-7481522-B2 Compositions and inks containing disazo dyes FUJIFILM IMAGING COLORANTS LIMITED (GB) 2009-01-27 US disclosed
US-20060017791-A1 Compositions and inks containing disazo dyes AVECIA INKJET LIMITED (GB) 2006-01-26 US disclosed
EP-1521808-A1 COMPOSITIONS AND INKS CONTAINING DISAZO DYES Avecia Limited (GB) 2005-04-13 EP disclosed
WO-2003104332-A1 COMPOSITIONS AND INKS CONTAINING DISAZO DYES AVECIA LIMITED (GB) 2003-12-18 WO disclosed
EP-0303081-B1 WATER SOLUBLE DISAZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-02 EP disclosed
US-5055565-A Fiber-reactive dyes HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-08 US disclosed
EP-0303081-A1 Water soluble disazo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1989-02-15 EP disclosed