SCHEMBL10448356

SCHEMBL10448356

Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc(/N=N/c4ccc5ccccc5c4S(=O)(=O)O)c4cc(S(=O)(=O)O)ccc34)c(O)c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.62
CYP2C9 P11712 2/20 0.62
MAPK1 P28482 2/20 0.62
DNASE1L3 Q13609 1/20 0.62
PHLPP2 Q6ZVD8 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
HTT P42858 1/20 0.58
ENPP2 Q13822 6/20 0.55
HIF1A Q16665 2/20 0.54
ALDH1A1 P00352 2/20 0.54
THRB P10828 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
TSHR P16473 1/20 0.51
PTPRA P18433 1/20 0.51
PTPRB P23467 1/20 0.51
CYP2C19 P33261 1/20 0.51
RAPGEF4 Q8WZA2 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PRMT1 Q99873 1/20 0.49

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
SCHEMBL9174934 1.00 CYP1A2 (0.62) CYP1A2CYP2C9MAPK1DNASE1L3PHLPP2
SCHEMBL6028561 0.94 PHLPP2 (0.65) CYP1A2CYP2C9MAPK1DNASE1L3PHLPP2
SCHEMBL6028562 0.94 PHLPP2 (0.65) CYP1A2CYP2C9MAPK1DNASE1L3PHLPP2
SCHEMBL9172980 0.86 MEN1 (0.68) CYP1A2CYP2C9MAPK1DNASE1L3PHLPP2
SCHEMBL10448644 0.86 MEN1 (0.68) CYP1A2CYP2C9MAPK1DNASE1L3PHLPP2
SCHEMBL7588620 0.85 PHLPP2 (0.64) CYP1A2CYP2C9MAPK1DNASE1L3PHLPP2
SCHEMBL60351 0.85 CYP1A2 (0.80) CYP1A2CYP2C9MAPK1DNASE1L3PHLPP2
SCHEMBL60352 0.85 CYP1A2 (0.80) CYP1A2CYP2C9MAPK1DNASE1L3PHLPP2
SCHEMBL13629220 0.85 PHLPP2 (0.63) CYP1A2CYP2C9MAPK1DNASE1L3PHLPP2
SCHEMBL10619899 0.84 PHLPP2 (0.63) CYP1A2CYP2C9MAPK1DNASE1L3PHLPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0400648-A1 Polyazo dye compounds having plural vinylsulfone type fiber reactive groups in one molecule SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-12-05 EP disclosed