SCHEMBL70833

SCHEMBL70833

CNc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3cccc4ccccc34)c(O)c12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.76
MAPK1 P28482 2/20 0.76
CYP2C9 P11712 2/20 0.76
DNASE1L3 Q13609 1/20 0.76
HIF1A Q16665 3/20 0.60
ALDH1A1 P00352 2/20 0.60
FUT8 Q9BYC5 1/20 0.55
TSHR P16473 1/20 0.54
PTPRA P18433 1/20 0.54
PTPRB P23467 1/20 0.54
CYP2C19 P33261 1/20 0.54
RAPGEF4 Q8WZA2 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PRMT1 Q99873 2/20 0.53
PHLPP2 Q6ZVD8 2/20 0.51
ENPP2 Q13822 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HTT P42858 1/20 0.49
THRB P10828 2/20 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
SCHEMBL71580 0.90 CYP1A2 (0.73) CYP1A2MAPK1CYP2C9DNASE1L3HIF1A
SCHEMBL13014583 0.90 CYP1A2 (0.66) CYP1A2MAPK1CYP2C9DNASE1L3HIF1A
SCHEMBL4758802 0.87 CYP1A2 (0.57) CYP1A2MAPK1CYP2C9DNASE1L3HIF1A
Pontacyl Violet 6R SCHEMBL10080484 0.86 CYP1A2 (1.00) CYP1A2MAPK1CYP2C9DNASE1L3HIF1A
Pontacyl Violet 6R SCHEMBL12282563 0.86 CYP1A2 (1.00) CYP1A2MAPK1CYP2C9DNASE1L3HIF1A
Pontacyl Violet 6R SCHEMBL29412925 0.86 CYP1A2 (1.00) CYP1A2MAPK1CYP2C9DNASE1L3HIF1A
SCHEMBL60352 0.85 CYP1A2 (0.80) CYP1A2MAPK1CYP2C9DNASE1L3HIF1A
SCHEMBL60351 0.85 CYP1A2 (0.80) CYP1A2MAPK1CYP2C9DNASE1L3HIF1A
SCHEMBL14549374 0.84 CYP1A2 (0.66) CYP1A2MAPK1CYP2C9DNASE1L3HIF1A
SCHEMBL71543 0.83 FUT8 (0.65) CYP1A2MAPK1CYP2C9DNASE1L3HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9534192-B2 Phthalocyanine-containing granules to decrease phthalocyanine deposition on textiles BASF SE (DE) 2017-01-03 US disclosed
US-20150094253-A1 Phthalocyanine particles and the use thereof BASF SE (DE) 2015-04-02 US disclosed
US-20150031590-A1 Compositions comprising granules of phthalocyanines BASF SE (DE) 2015-01-29 US disclosed
US-8883703-B2 Laundry detergent composition comprising particles of phthalocyanine compound encapsulated in low bloom gelatine THE PROCTER & GAMBLE COMPANY (US) 2014-11-11 US disclosed
US-8809251-B2 Laundry detergent composition comprising water-soluble phthalocyanine compound THE PROCTER & GAMBLE COMPANY (US) 2014-08-19 US disclosed
US-20130288942-A1 LAUNDRY DETERGENT COMPOSITION COMPRISING PARTICLES OF PHTHALOCYANINE COMPOUND THE PROCTER & GAMBLE COMPANY (US) 2013-10-31 US disclosed
US-20130261042-A1 LAUNDRY DETERGENT COMPOSITION COMPRISING WATER-SOLUBLE PHTHALOCYANINE COMPOUND THE PROCTER & GAMBLE COMPANY (US) 2013-10-03 US disclosed
US-8414661-B2 Detergent compositions THE PROCTER & GAMBLE COMPANY (US) 2013-04-09 US disclosed
US-20120122752-A1 DETERGENT COMPOSITIONS KRAMER HANS (US) 2012-05-17 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