SCHEMBL8771585

SCHEMBL8771585

Nc1ccc(S(=O)(=O)O)c(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N=Nc4ccccc4S(=O)(=O)O)c(O)c3c2N)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 6/20 0.57
CYP1A2 P05177 4/20 0.56
CYP2C9 P11712 1/20 0.50
MAPK1 P28482 1/20 0.50
DNASE1L3 Q13609 1/20 0.50
FUT8 Q9BYC5 1/20 0.48
PRMT1 Q99873 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
PHLPP2 Q6ZVD8 3/20 0.44
THRB P10828 2/20 0.42
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL8771712 1.00 ENPP2 (0.57) ENPP2CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL8816868 0.94 ENPP2 (0.54) ENPP2CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL8816878 0.94 ENPP2 (0.54) ENPP2CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL10647382 0.93 ENPP2 (0.51) ENPP2CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL10706139 0.93 ENPP2 (0.58) ENPP2CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL8771735 0.91 ENPP2 (0.66) ENPP2CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL10647017 0.91 ENPP2 (0.49) ENPP2CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL8128624 0.89 PRMT1 (0.58) ENPP2CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL8128621 0.89 PRMT1 (0.58) ENPP2CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL10393846 0.89 PRMT1 (0.58) ENPP2CYP1A2CYP2C9MAPK1DNASE1L3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0609832-B1 Disazo compounds and use thereof as fiber reactive dyes SUMITOMO CHEMICAL CO (JP) 1997-10-01 EP disclosed
US-5637705-A AMINE COMPOUNDS HAVING TRIAZINE GROUPS; DYE INTERMEDIATES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-06-10 US disclosed
US-5478927-A Bisazo compounds and use thereof as fiber reactive dyes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-12-26 US disclosed
EP-0400647-B1 Polyazo dye compounds having vinylsulfone type and pyridinium type fiber reactive groups SUMITOMO CHEMICAL CO (JP) 1995-04-26 EP disclosed
EP-0609832-A1 Disazo compounds and use thereof as fiber reactive dyes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-08-10 EP disclosed
EP-0400648-B1 Polyazo dye compounds having plural vinylsulfone type fiber reactive groups in one molecule SUMITOMO CHEMICAL CO (JP) 1994-06-08 EP disclosed
US-5116956-A POLYAZO DYE COMPOUNDS HAVING VINYLSULFONE TYPE AND PYRIDINIUM TYPE FIBER REACTIVE GROUPS SUMITOMO CHEMICAL CO., LTD. (JP) 1992-05-26 US disclosed
US-5112959-A Dyes for cellulose, polyamides and polyurethanes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-05-12 US disclosed
EP-0400647-A1 Polyazo dye compounds having vinylsulfone type and pyridinium type fiber reactive groups SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-12-05 EP disclosed
US-4912244-A Vinylsulfonylalkylamino-alkylamines as intermediates for the preparation of fiber-reactive dyes CIBA-GEIGY CORPORATION (US) 1990-03-27 US disclosed
US-4782140-A Triazinyl reactive dyes containing additional fiber reactive groups bound through the sulfonylalkylaminoalkylamino bridge CIBA-GIEGY CORPORATION (US) 1988-11-01 US disclosed
EP-0144766-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1988-10-05 EP disclosed
US-4754023-A Reactive dyestuffs comprising a triazine moiety and a vinylsulfonyl moiety both being linked by a substituted alkylene bridge member CIBA-GEIGY CORPORATION (US) 1988-06-28 US disclosed
EP-0159292-A2 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1985-10-23 EP disclosed
EP-0144766-A2 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1985-06-19 EP disclosed