SCHEMBL9312366

SCHEMBL9312366

CNc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNG2 P59768 5/20 0.73
GNB1 P62873 5/20 0.73
PHLPP2 Q6ZVD8 2/20 0.66
P2RY4 P51582 5/20 0.61
CYP1A2 P05177 2/20 0.60
CYP2C9 P11712 2/20 0.60
ALOX15 P16050 2/20 0.60
HSD17B10 Q99714 2/20 0.60
ALDH1A1 P00352 1/20 0.60
CYP3A4 P08684 1/20 0.60
HPGD P15428 1/20 0.60
MAPK1 P28482 1/20 0.60
CYP2C19 P33261 1/20 0.60
HIF1A Q16665 1/20 0.60
P2RY12 Q9H244 4/20 0.58
HPGDS O60760 1/20 0.56
P2RY2 P41231 3/20 0.56
CHAT P28329 2/20 0.54
USP2 O75604 1/20 0.54
APEX1 P27695 1/20 0.54

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
SCHEMBL13213987 0.92 GNG2 (0.72) GNG2GNB1PHLPP2P2RY4CYP1A2
SCHEMBL3023621 0.91 GNG2 (0.71) GNG2GNB1PHLPP2P2RY4CYP1A2
SCHEMBL3023633 0.91 GNG2 (0.71) GNG2GNB1PHLPP2P2RY4CYP1A2
SCHEMBL8779914 0.88 GNG2 (0.81) GNG2GNB1PHLPP2P2RY4CYP1A2
SCHEMBL13214103 0.88 GNG2 (0.69) GNG2GNB1PHLPP2P2RY4CYP1A2
SCHEMBL3032529 0.87 GNG2 (0.67) GNG2GNB1PHLPP2P2RY4CYP1A2
SCHEMBL2779595 0.85 GNG2 (1.00) GNG2GNB1PHLPP2P2RY4CYP1A2
SCHEMBL13021512 0.83 GNG2 (0.92) GNG2GNB1PHLPP2P2RY4CYP1A2
SCHEMBL11425002 0.83 GNG2 (0.68) GNG2GNB1PHLPP2P2RY4CYP1A2
SCHEMBL13214010 0.83 GNG2 (0.78) GNG2GNB1PHLPP2P2RY4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5298607-A Reactive dyes for cotton CIBA-GEIGY CORPORATION (US) 1994-03-29 US disclosed
US-4906737-A Azo dye of the pyridone series containing a fluoro-s-triazinyl fibre-reactive group CIBA-GEIGY CORPORATION (US) 1990-03-06 US disclosed
US-4808706-A WET- AND LIGHFAST; SOLUBLE CIBA-GEIGY CORPORATION (US) 1989-02-28 US disclosed
US-4680384-A PYRIMIDINE DYES CIBA-GEIGY CORPORATION (US) 1987-07-14 US disclosed
US-4507236-A Fibre-reactive dyes, containing both chloro and fluoro triazine radicals CIBA-GEIGY CORPORATION (US) 1985-03-26 US disclosed
US-4325869-A CONTAINING A PYRIMIDINE RING AND ONE OR MORE AZO GROUPS CIBA-GEIGY CORPORATION (US) 1982-04-20 US disclosed
US-4261889-A TRIAZINE DYES FOR COTTON CIBA-GEIGY CORP. (US) 1981-04-14 US disclosed
US-4129736-A FIBER-REACTIVE CIBA-GEIGY CORPORATION (US) 1978-12-12 US disclosed
US-4079051-A 4-Halogeno-s-triazin-2-yl-phosphoramide acid containing reactive dyestuffs CIBA-GEIGY CORPORATION (US) 1978-03-14 US disclosed
US-4033944-A Fibre-reactive hydroxycycloalkenyl-halo triazinyl containing dyestuffs CIBA-GEIGY CORPORATION (US) 1977-07-05 US disclosed
US-3947407-A ANTHRAQUINONE DYE CIBA-GEIGY AG (CH) 1976-03-30 US disclosed