SCHEMBL71543

SCHEMBL71543

Cc1cccc(Nc2nc(Nc3cc(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(/N=N/c5cccc6ccccc56)c(O)c34)nc(Nc3cc(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(/N=N/c5cccc6ccccc56)c(O)c34)n2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FUT8 Q9BYC5 1/20 0.65
CYP1A2 P05177 5/20 0.62
MAPK1 P28482 2/20 0.62
CYP2C9 P11712 2/20 0.62
DNASE1L3 Q13609 1/20 0.62
HIF1A Q16665 3/20 0.50
ALDH1A1 P00352 2/20 0.50
ENPP2 Q13822 6/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
THRB P10828 2/20 0.47
PRMT1 Q99873 1/20 0.46
PHLPP2 Q6ZVD8 1/20 0.45
TSHR P16473 1/20 0.45
PTPRA P18433 1/20 0.45
PTPRB P23467 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAPGEF4 Q8WZA2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HTT P42858 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
SCHEMBL71332 0.91 FUT8 (0.64) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL71336 0.91 FUT8 (0.64) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL15355552 0.88 FUT8 (0.61) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL71410 0.88 FUT8 (0.61) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL91064 0.87 FUT8 (0.70) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL12535965 0.87 FUT8 (0.72) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL14845606 0.86 FUT8 (0.59) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL13014585 0.86 FUT8 (0.58) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL13816598 0.86 FUT8 (0.70) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL14549401 0.85 FUT8 (0.59) FUT8CYP1A2MAPK1CYP2C9DNASE1L3

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
US-8128713-B2 Detergent composition THE PROCTER & GAMBLE COMPANY (US) 2012-03-06 US disclosed
US-8128713-B2 Detergent composition THE PROCTER & GAMBLE COMPANY (US) 2012-03-06 US disclosed
US-20110131738-A1 DETERGENT COMPOSITION KRAMER HANS 2011-06-09 US disclosed
US-20110131738-A1 DETERGENT COMPOSITION KRAMER HANS 2011-06-09 US disclosed