SCHEMBL8643316

SCHEMBL8643316

Nc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2cc(S(=O)(=O)O)ccc2C3=O)c(S(=O)(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNG2 P59768 5/20 0.61
▸ GNB1 P62873 5/20 0.61
▸ CYP1A2 P05177 2/20 0.61
▸ CYP2C9 P11712 2/20 0.61
▸ ALOX15 P16050 2/20 0.61
▸ HSD17B10 Q99714 2/20 0.61
▸ P2RY12 Q9H244 2/20 0.60
▸ CHAT P28329 4/20 0.54
▸ APEX1 P27695 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.52
▸ PHLPP2 Q6ZVD8 2/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ ENPP3 O14638 1/20 0.52
▸ ENPP1 P22413 1/20 0.52
▸ P2RY4 P51582 1/20 0.50

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
SCHEMBL1592210 0.88 GNG2 (0.76) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL8639114 0.87 GNG2 (0.78) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL8644827 0.87 GNG2 (0.78) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL11675119 0.86 GNG2 (0.58) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL8639112 0.84 GNG2 (0.81) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL8636836 0.84 GNG2 (0.51) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL8633320 0.84 GNG2 (0.51) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL8651011 0.83 GNG2 (0.71) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL8632457 0.81 GNG2 (0.54) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL11683034 0.81 P2RY4 (0.49) GNG2GNB1CYP1A2CYP2C9ALOX15

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
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-4052386-A REACTIVE PHTHALOCYANINE DYESTUFFS CONTAINING A FLUOROPYRIMIDINYL GROUP BAYER AKTIENGESELLSCHAFT (DT) 1977-10-04 — — US disclosed
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