SCHEMBL8647025

SCHEMBL8647025

NCc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c(S(=O)(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNG2 P59768 5/20 0.63
▸ GNB1 P62873 5/20 0.63
▸ P2RY4 P51582 5/20 0.58
▸ PHLPP2 Q6ZVD8 2/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ CYP2C9 P11712 2/20 0.57
▸ ALOX15 P16050 2/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ HPGDS O60760 1/20 0.56
▸ P2RY12 Q9H244 4/20 0.55
▸ CHAT P28329 4/20 0.54
▸ USP2 O75604 1/20 0.53
▸ APEX1 P27695 1/20 0.53
▸ ENPP3 O14638 1/20 0.52

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
SCHEMBL8644580 0.91 GNG2 (0.63) GNG2GNB1P2RY4PHLPP2CYP1A2
SCHEMBL8631126 0.88 GNG2 (0.63) GNG2GNB1P2RY4PHLPP2CYP1A2
SCHEMBL10488650 0.87 GNG2 (0.78) GNG2GNB1P2RY4PHLPP2CYP1A2
SCHEMBL1592210 0.86 GNG2 (0.76) GNG2GNB1P2RY4PHLPP2CYP1A2
SCHEMBL13214102 0.84 GNG2 (0.73) GNG2GNB1P2RY4PHLPP2CYP1A2
SCHEMBL10885602 0.84 P2RY12 (0.64) P2RY4P2RY12P2RY2CDK2P2RY1
SCHEMBL14642058 0.84 GNG2 (0.66) GNG2GNB1P2RY4PHLPP2CYP1A2
SCHEMBL3032353 0.83 GNG2 (0.71) GNG2GNB1P2RY4PHLPP2CYP1A2
SCHEMBL14318008 0.82 GNG2 (0.64) GNG2GNB1P2RY4PHLPP2CYP1A2
SCHEMBL11679423 0.82 GNG2 (0.61) GNG2GNB1P2RY4PHLPP2CYP1A2

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 8 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
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
EP-0276686-B1 ANTHRAQUINONE COMPOUND AND DYEING OR PRINTING METHOD USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-09-04 — — EP disclosed
US-4977261-A FIBER-REACTIVE DYES SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1990-12-11 — — US disclosed
EP-0276686-A2 Anthraquinone compound and dyeing or printing method using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-08-03 — — EP disclosed
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