SCHEMBL8634820

SCHEMBL8634820

Cc1c(N)cccc1Nc1cc(S(=O)(=O)O)c(N)c2c1C(=O)c1c(cccc1S(=O)(=O)O)C2=O

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.67
GNG2 P59768 5/20 0.55
GNB1 P62873 5/20 0.55
P2RY4 P51582 5/20 0.55
P2RY2 P41231 4/20 0.55
PHLPP2 Q6ZVD8 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
ALOX15 P16050 2/20 0.53
HSD17B10 Q99714 2/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 1/20 0.53
HIF1A Q16665 1/20 0.53
HPGDS O60760 1/20 0.47
MET P08581 1/20 0.45

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
SCHEMBL11325190 0.92 P2RY12 (0.78) P2RY12GNG2GNB1P2RY4P2RY2
SCHEMBL3025507 0.91 P2RY12 (0.76) P2RY12GNG2GNB1P2RY4P2RY2
SCHEMBL8630135 0.89 GNG2 (0.55) P2RY12GNG2GNB1P2RY4P2RY2
SCHEMBL8632321 0.85 P2RY12 (0.67) P2RY12GNG2GNB1P2RY4P2RY2
SCHEMBL10864102 0.83 GNG2 (0.53) P2RY12GNG2GNB1P2RY4P2RY2
SCHEMBL8645343 0.81 GNG2 (0.65) P2RY12GNG2GNB1P2RY4P2RY2
SCHEMBL13214023 0.81 GNG2 (0.71) P2RY12GNG2GNB1P2RY4P2RY2
SCHEMBL8642125 0.81 GNG2 (0.82) P2RY12GNG2GNB1P2RY4P2RY2
SCHEMBL8639913 0.81 GNG2 (0.53) P2RY12GNG2GNB1P2RY4P2RY2
SCHEMBL3033640 0.80 GNG2 (0.70) P2RY12GNG2GNB1P2RY4P2RY2

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 7 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
US-4255325-A AZO, ANTHRAQUINONE, FORMAZANE, AND PHTHALOCYANINE DYES; COLOR AND WASHFASTNESS; AMINO HALO TRIAZINE CARBAZIDE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1981-03-10 US disclosed