SCHEMBL6028562

SCHEMBL6028562

Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccc4ccccc4c3S(=O)(=O)O)c(O)c12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHLPP2 Q6ZVD8 2/20 0.65
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
HTT P42858 1/20 0.64
CYP1A2 P05177 4/20 0.64
MAPK1 P28482 2/20 0.64
CYP2C9 P11712 2/20 0.64
DNASE1L3 Q13609 1/20 0.64
ENPP2 Q13822 3/20 0.61
PRMT1 Q99873 1/20 0.53
ALDH1A1 P00352 2/20 0.52
HIF1A Q16665 2/20 0.50
MPL P40238 1/20 0.48
CTRC Q99895 1/20 0.48
USP2 O75604 1/20 0.48
PTPN1 P18031 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
THRB P10828 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL6028561 1.00 PHLPP2 (0.65) PHLPP2MEN1KMT2AHTTCYP1A2
SCHEMBL9174934 0.94 CYP1A2 (0.62) PHLPP2MEN1KMT2AHTTCYP1A2
SCHEMBL10448356 0.94 CYP1A2 (0.62) PHLPP2MEN1KMT2AHTTCYP1A2
SCHEMBL9172980 0.92 MEN1 (0.68) PHLPP2MEN1KMT2AHTTCYP1A2
SCHEMBL10448644 0.92 MEN1 (0.68) PHLPP2MEN1KMT2AHTTCYP1A2
SCHEMBL7588620 0.89 PHLPP2 (0.64) PHLPP2MEN1KMT2AHTTCYP1A2
SCHEMBL60351 0.89 CYP1A2 (0.80) PHLPP2MEN1KMT2AHTTCYP1A2
SCHEMBL13980954 0.89 CYP1A2 (0.56) PHLPP2MEN1KMT2AHTTCYP1A2
SCHEMBL60352 0.89 CYP1A2 (0.80) PHLPP2MEN1KMT2AHTTCYP1A2
SCHEMBL10619899 0.88 PHLPP2 (0.63) PHLPP2MEN1KMT2AHTTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2009065-A1 Reactive dyestuffs with alkylthio group and beta-sulfatoethylsulfone group Everlight USA, Inc. (US) 2008-12-31 EP disclosed
EP-1795562-A2 Fiber reactive dyestuffs Everlight USA, Inc. (US) 2007-06-13 EP disclosed
US-7122667-B2 Fibre-reactive dyes, their preparation and their use CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-10-17 US disclosed
US-20040261199-A1 Fibre-reactive dyes their preparation and their use HUNTSMAN INTERNATIONAL LLC 2004-12-30 US disclosed
EP-1458818-A1 FIBRE-REACTIVE DYES, THEIR PREPARATION AND THEIR USE Ciba SC Holding AG (CH) 2004-09-22 EP disclosed
WO-2003040239-A1 FIBRE-REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-05-15 WO disclosed
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-5484899-A Fiber-reactive triazinyl dyes having a monoazo moiety with a 2,4-diaminobenzene sulfonic acid coupling component and a second chromophore CIBA-GEIGY CORPORATION (US) 1996-01-16 US 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
EP-0167219-B1 FIBER-REACTIVE COMPOUND HAVING BOTH PYRIDINIOTRIAZINYL AND VINYLSULFONE TYPE GROUPS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-09-28 EP 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
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-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