SCHEMBL8634573

SCHEMBL8634573

Cc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2c(cccc2S(=O)(=O)O)C3=O)c(S(=O)(=O)O)c1CN

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNG2 P59768 5/20 0.49
GNB1 P62873 5/20 0.49
P2RY4 P51582 7/20 0.48
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
MAPK1 P28482 3/20 0.47
PHLPP2 Q6ZVD8 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MET P08581 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
P2RY2 P41231 5/20 0.45
HPGDS O60760 1/20 0.43
P2RY12 Q9H244 1/20 0.43
MEN1 O00255 2/20 0.42
NSD2 O96028 2/20 0.42

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
SCHEMBL8639913 0.85 GNG2 (0.53) GNG2GNB1P2RY4ALDH1A1HPGD
SCHEMBL8634455 0.83 GNG2 (0.59) GNG2GNB1P2RY4ALDH1A1HPGD
SCHEMBL8642722 0.81 GNG2 (0.48) GNG2GNB1P2RY4ALDH1A1HPGD
SCHEMBL8634820 0.79 P2RY12 (0.67) GNG2GNB1P2RY4ALDH1A1HPGD
SCHEMBL10864102 0.77 GNG2 (0.53) GNG2GNB1P2RY4ALDH1A1HPGD
SCHEMBL8630135 0.77 GNG2 (0.55) GNG2GNB1P2RY4ALDH1A1HPGD
SCHEMBL8632381 0.76 GNG2 (0.57) GNG2GNB1P2RY4ALDH1A1HPGD
SCHEMBL8642125 0.75 GNG2 (0.82) GNG2GNB1P2RY4ALDH1A1HPGD
SCHEMBL11679423 0.75 GNG2 (0.61) GNG2GNB1P2RY4ALDH1A1HPGD
SCHEMBL8640965 0.74 GNG2 (0.85) GNG2GNB1P2RY4ALDH1A1HPGD

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