SCHEMBL8630004

SCHEMBL8630004

Cc1cc(N)cc(S(=O)(=O)O)c1Nc1cc(S(=O)(=O)O)c(N)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNG2 P59768 5/20 0.66
GNB1 P62873 5/20 0.66
ALDH1A1 P00352 3/20 0.62
HPGD P15428 3/20 0.62
MAPK1 P28482 3/20 0.62
P2RY1 P47900 3/20 0.62
MEN1 O00255 2/20 0.62
NSD2 O96028 2/20 0.62
POLB P06746 2/20 0.62
MAPT P10636 2/20 0.62
THRB P10828 2/20 0.62
RECQL P46063 2/20 0.62
KMT2A Q03164 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
NPSR1 Q6W5P4 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
CYP1A2 P05177 2/20 0.61
CYP2C9 P11712 2/20 0.61
ALOX15 P16050 2/20 0.61

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
SCHEMBL11333865 0.88 ALDH1A1 (0.79) GNG2GNB1ALDH1A1HPGDMAPK1
SCHEMBL30205040 0.87 ALDH1A1 (0.77) GNG2GNB1ALDH1A1HPGDMAPK1
SCHEMBL3028166 0.87 ALDH1A1 (0.77) GNG2GNB1ALDH1A1HPGDMAPK1
SCHEMBL13214108 0.86 GNG2 (0.64) GNG2GNB1ALDH1A1HPGDMAPK1
SCHEMBL11603300 0.85 ALDH1A1 (0.64) GNG2GNB1ALDH1A1HPGDMAPK1
SCHEMBL18867032 0.85 GNG2 (0.71) GNG2GNB1ALDH1A1HPGDMAPK1
SCHEMBL9844573 0.84 GNG2 (0.61) GNG2GNB1ALDH1A1HPGDMAPK1
SCHEMBL30371545 0.84 GNG2 (0.60) GNG2GNB1ALDH1A1HPGDMAPK1
SCHEMBL11602263 0.83 P2RY4 (0.76) GNG2GNB1ALDH1A1HPGDMAPK1
SCHEMBL10609900 0.83 GNG2 (0.71) GNG2GNB1ALDH1A1HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0602550-B1 Watersoluble anthraquinone compounds, process for their preparation and their use as dyestuffes DYSTAR TEXTILFARBEN GMBH & CO (DE) 1998-08-19 EP disclosed
EP-0601416-B1 Watersoluble anthraquinone compounds, process for their preparation and their use as dyestuffs DYSTAR TEXTILFARBEN GMBH & CO (DE) 1998-07-15 EP disclosed
US-5498713-A FIBER-REACTIVE DYES HOECHST AKTIENGESELLSCHAFT (DE) 1996-03-12 US disclosed
US-5430147-A Water-soluble anthraquinone compounds, preparation thereof, and use thereof as dyes HOECHST AG (DE) 1995-07-04 US disclosed
EP-0602550-A1 Watersoluble anthraquinone compounds, process for their preparation and their use as dyestuffes HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-22 EP disclosed
EP-0601416-A1 Watersoluble anthraquinone compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-15 EP disclosed