SCHEMBL10618136

SCHEMBL10618136

Nc1ccc2c(O)c(N=Nc3cc4ccc(S(=O)(=O)O)cc4cc3S(=O)(=O)O)c(S(=O)(=O)O)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD40 P25942 1/20 0.54
CD40LG P29965 1/20 0.54
ENPP2 Q13822 9/20 0.53
PHLPP2 Q6ZVD8 1/20 0.52
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 2/20 0.51
HIF1A Q16665 2/20 0.51
MEN1 O00255 1/20 0.51
THRB P10828 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
NSD2 O96028 1/20 0.50
DUSP3 P51452 1/20 0.50
PTPN5 P54829 1/20 0.50
CASP6 P55212 1/20 0.50
PTPN11 Q06124 1/20 0.50
PRMT1 Q99873 1/20 0.48
SUMO2 P61956 1/20 0.48
SUMO1 P63165 1/20 0.48
SENP7 Q9BQF6 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
SCHEMBL10351775 0.90 MEN1 (0.56) CD40CD40LGENPP2PHLPP2ALDH1A1
SCHEMBL8070763 0.90 PHLPP2 (0.54) CD40CD40LGENPP2PHLPP2ALDH1A1
SCHEMBL7770978 0.90 PHLPP2 (0.54) CD40CD40LGENPP2PHLPP2ALDH1A1
SCHEMBL8972293 0.87 PHLPP2 (0.53) CD40CD40LGENPP2PHLPP2ALDH1A1
SCHEMBL20735435 0.86 MEN1 (0.53) CD40CD40LGENPP2PHLPP2ALDH1A1
SCHEMBL8035550 0.85 PHLPP2 (0.57) CD40CD40LGENPP2PHLPP2ALDH1A1
SCHEMBL10600174 0.85 PHLPP2 (0.60) CD40CD40LGENPP2PHLPP2ALDH1A1
SCHEMBL14493395 0.85 ENPP2 (0.59) CD40CD40LGENPP2PHLPP2ALDH1A1
SCHEMBL8971759 0.84 PRMT1 (0.52) CD40CD40LGENPP2PHLPP2ALDH1A1
SCHEMBL13474894 0.84 ENPP2 (0.60) CD40CD40LGENPP2PHLPP2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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