SCHEMBL8771735

SCHEMBL8771735

Nc1ccc(S(=O)(=O)O)c(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N=Nc4ccccc4)c(N)c3c2O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 7/20 0.66
CYP1A2 P05177 3/20 0.52
SUMO2 P61956 1/20 0.47
SUMO1 P63165 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP2 Q9HC62 1/20 0.47
SENP1 Q9P0U3 1/20 0.47
THRB P10828 2/20 0.47
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 1/20 0.46
DNASE1L3 Q13609 1/20 0.46
PHLPP2 Q6ZVD8 2/20 0.45
PRMT1 Q99873 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 1/20 0.43
APP P05067 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL8816868 0.92 ENPP2 (0.54) ENPP2CYP1A2THRBCYP2C9MAPK1
SCHEMBL8816878 0.92 ENPP2 (0.54) ENPP2CYP1A2THRBCYP2C9MAPK1
SCHEMBL10392756 0.92 ENPP2 (0.56) ENPP2CYP1A2SUMO2SUMO1SENP7
SCHEMBL8070745 0.92 ENPP2 (0.56) ENPP2CYP1A2SUMO2SUMO1SENP7
SCHEMBL8771712 0.91 ENPP2 (0.57) ENPP2CYP1A2THRBCYP2C9MAPK1
SCHEMBL8771585 0.91 ENPP2 (0.57) ENPP2CYP1A2THRBCYP2C9MAPK1
SCHEMBL10706139 0.91 ENPP2 (0.58) ENPP2CYP1A2SUMO2SUMO1SENP7
SCHEMBL9234263 0.90 ENPP2 (0.70) ENPP2CYP1A2SUMO2SUMO1SENP7
SCHEMBL9234257 0.90 ENPP2 (0.70) ENPP2CYP1A2SUMO2SUMO1SENP7
Chlorazol Black SCHEMBL31122165 0.88 ENPP2 (0.72) ENPP2CYP1A2SUMO2SUMO1SENP7

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 4 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-0609832-A1 Disazo compounds and use thereof as fiber reactive dyes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-08-10 EP disclosed