SCHEMBL4758802

SCHEMBL4758802

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.57
MAPK1 P28482 3/20 0.57
CYP2C9 P11712 2/20 0.57
DNASE1L3 Q13609 1/20 0.57
ALDH1A1 P00352 2/20 0.51
HIF1A Q16665 3/20 0.49
TSHR P16473 1/20 0.48
PTPRA P18433 1/20 0.48
PTPRB P23467 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAPGEF4 Q8WZA2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PTPN11 Q06124 1/20 0.45
FUT8 Q9BYC5 1/20 0.42
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
THRB P10828 2/20 0.40
HPGD P15428 1/20 0.39
PHLPP2 Q6ZVD8 1/20 0.39
TDP1 Q9NUW8 2/20 0.39

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
SCHEMBL70833 0.87 CYP1A2 (0.76) CYP1A2MAPK1CYP2C9DNASE1L3ALDH1A1
SCHEMBL14549436 0.80 FUT8 (0.59) CYP1A2MAPK1CYP2C9DNASE1L3ALDH1A1
SCHEMBL71580 0.77 CYP1A2 (0.73) CYP1A2MAPK1CYP2C9DNASE1L3ALDH1A1
SCHEMBL13659578 0.77 MAPK1 (0.74) CYP1A2MAPK1CYP2C9DNASE1L3ALDH1A1
SCHEMBL13014583 0.76 CYP1A2 (0.66) CYP1A2MAPK1CYP2C9DNASE1L3ALDH1A1
Pontacyl Violet 6R SCHEMBL29412925 0.73 CYP1A2 (1.00) CYP1A2MAPK1CYP2C9DNASE1L3ALDH1A1
Pontacyl Violet 6R SCHEMBL12282563 0.73 CYP1A2 (1.00) CYP1A2MAPK1CYP2C9DNASE1L3ALDH1A1
Pontacyl Violet 6R SCHEMBL10080484 0.73 CYP1A2 (1.00) CYP1A2MAPK1CYP2C9DNASE1L3ALDH1A1
SCHEMBL14549374 0.71 CYP1A2 (0.66) CYP1A2MAPK1CYP2C9DNASE1L3ALDH1A1
SCHEMBL60352 0.71 CYP1A2 (0.80) CYP1A2MAPK1CYP2C9DNASE1L3ALDH1A1

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
US-20120122752-A1 DETERGENT COMPOSITIONS KRAMER HANS (US) 2012-05-17 US disclosed