SCHEMBL9136997

SCHEMBL9136997

COc1cc(N=Nc2cc(S(=O)(=O)O)ccc2S(=O)(=O)O)c(C)cc1N=Nc1c(S(=O)(=O)O)cc2c(S(=O)(=O)O)c(N)ccc2c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 8/20 0.53
▸ PHLPP2 Q6ZVD8 2/20 0.44
▸ PTPN1 P18031 2/20 0.43
▸ SUMO2 P61956 1/20 0.42
▸ SUMO1 P63165 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP3 Q9H4L4 1/20 0.42
▸ SENP2 Q9HC62 1/20 0.42
▸ SENP1 Q9P0U3 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ TP53 P04637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL10602677 1.00 ENPP2 (0.53) ENPP2PHLPP2PTPN1SUMO2SUMO1
SCHEMBL8779873 0.90 ENPP2 (0.51) ENPP2PHLPP2PTPN1SUMO2SUMO1
SCHEMBL10341738 0.88 ENPP2 (0.53) ENPP2PHLPP2PTPN1SUMO2SUMO1
SCHEMBL10488474 0.86 ENPP2 (0.51) ENPP2PHLPP2SUMO2SUMO1SENP7
SCHEMBL10488468 0.86 ENPP2 (0.51) ENPP2PHLPP2SUMO2SUMO1SENP7
SCHEMBL10615183 0.85 ENPP2 (0.62) ENPP2PHLPP2PTPN1SUMO2SUMO1
SCHEMBL9135394 0.82 ENPP2 (0.62) ENPP2PHLPP2PTPN1SUMO2SUMO1
SCHEMBL7591240 0.82 ENPP2 (0.70) ENPP2PHLPP2PTPN1SUMO2SUMO1
SCHEMBL9626844 0.82 ENPP2 (0.70) ENPP2PHLPP2PTPN1SUMO2SUMO1
SCHEMBL10351176 0.82 SENP3 (0.52) ENPP2PHLPP2PTPN1SUMO2SUMO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-5298607-A Reactive dyes for cotton CIBA-GEIGY CORPORATION (US) 1994-03-29 — — US disclosed
EP-0179549-B1 WATER-SOLUBLE DYE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-11-23 — — EP disclosed
US-4808706-A WET- AND LIGHFAST; SOLUBLE CIBA-GEIGY CORPORATION (US) 1989-02-28 — — US disclosed
EP-0167219-B1 FIBER-REACTIVE COMPOUND HAVING BOTH PYRIDINIOTRIAZINYL AND VINYLSULFONE TYPE GROUPS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-09-28 — — EP disclosed
US-4680384-A PYRIMIDINE DYES CIBA-GEIGY CORPORATION (US) 1987-07-14 — — US disclosed
US-4626589-A Organic dye compound having both pyridiniotriazinyl and vinylsulfone type fiber-reactive groups SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-12-02 — — US disclosed
EP-0167219-A1 Fiber-reactive compound having both pyridiniotriazinyl and vinylsulfone type groups SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-01-08 — — EP disclosed
US-4507236-A Fibre-reactive dyes, containing both chloro and fluoro triazine radicals CIBA-GEIGY CORPORATION (US) 1985-03-26 — — 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-4261889-A TRIAZINE DYES FOR COTTON CIBA-GEIGY CORP. (US) 1981-04-14 — — US disclosed
US-4213899-A FOR CELLULOSE IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-07-22 — — US disclosed
US-4033944-A Fibre-reactive hydroxycycloalkenyl-halo triazinyl containing dyestuffs CIBA-GEIGY CORPORATION (US) 1977-07-05 — — US disclosed
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