SCHEMBL8779905

SCHEMBL8779905

Nc1cccc2cc(S(=O)(=O)O)c(N=Nc3ccc4c(S(=O)(=O)O)cccc4c3S(=O)(=O)O)c(O)c12

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.57
CYP1A2 P05177 4/20 0.51
PHLPP2 Q6ZVD8 3/20 0.50
MAPK1 P28482 2/20 0.50
CYP2C9 P11712 1/20 0.50
DNASE1L3 Q13609 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 1/20 0.48
THRB P10828 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ATIC P31939 1/20 0.47
MPL P40238 1/20 0.45
CTRC Q99895 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HIF1A Q16665 1/20 0.44
TTR P02766 1/20 0.44
CTRB1 P17538 1/20 0.44
PRMT1 Q99873 1/20 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
SCHEMBL13980954 0.91 CYP1A2 (0.56) ENPP2CYP1A2PHLPP2MAPK1CYP2C9
SCHEMBL7588620 0.89 PHLPP2 (0.64) ENPP2CYP1A2PHLPP2MAPK1CYP2C9
SCHEMBL10617409 0.88 ENPP2 (0.53) ENPP2CYP1A2PHLPP2MAPK1CYP2C9
SCHEMBL10619899 0.88 PHLPP2 (0.63) ENPP2CYP1A2PHLPP2MAPK1CYP2C9
SCHEMBL14493388 0.88 ENPP2 (0.65) ENPP2CYP1A2PHLPP2MAPK1CYP2C9
Ammonia Solution, Strong SCHEMBL10651283 0.86 CYP1A2 (0.55) ENPP2CYP1A2PHLPP2MAPK1CYP2C9
SCHEMBL9309976 0.84 MPL (0.48) ENPP2CYP1A2PHLPP2MAPK1CYP2C9
SCHEMBL9300854 0.84 PHLPP2 (0.60) ENPP2CYP1A2PHLPP2MAPK1CYP2C9
SCHEMBL8059787 0.84 PHLPP2 (0.60) ENPP2CYP1A2PHLPP2MAPK1CYP2C9
SCHEMBL13302042 0.84 ENPP2 (0.66) ENPP2CYP1A2PHLPP2MAPK1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0492128-B1 Triazine compounds and method for dyeing or printing fiber materials using the same SUMITOMO CHEMICAL CO (JP) 1997-06-04 EP disclosed
US-5399674-A Dyestuffs containing pyrimidine-carboxylic acid amide radical having fiber-reactive group, processes for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-21 US disclosed
EP-0603595-A1 Fibre reactive dyes, method for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-29 EP disclosed
US-5235046-A Colorfast, washfast SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-08-10 US disclosed
US-5183501-A A water-soluble azo, phthalocyanine, anthraquinone, dioxazine or formazan dye having one or more-SO2-CH2-CH2-SO3H groups, a solvent and water; heat and water resistance; colorfastness SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-02-02 US disclosed
EP-0492128-A1 Triazine compounds and method for dyeing or printing fiber materials using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-07-01 EP disclosed
EP-0481449-A2 Ink compositions for ink jet recording SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-04-22 EP 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-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
EP-0059355-A2 Use of reactive dyestuffs in dyeing and printing of hydroxylgroups containing fibrous materials BAYER AG (DE) 1982-09-08 EP disclosed
US-4325869-A CONTAINING A PYRIMIDINE RING AND ONE OR MORE AZO GROUPS CIBA-GEIGY CORPORATION (US) 1982-04-20 US disclosed
US-4263206-A Reactive dyestuffs containing chlorine or fluorine substituents and one or more 1,3-dicyanobenzene radicals linked to the dyestuff at the 2-, 4- or 6-position IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-04-21 US disclosed
US-4213899-A FOR CELLULOSE IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-07-22 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