SCHEMBL7586578

SCHEMBL7586578

[NH]c1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccccc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.64
MAPK1 P28482 2/20 0.63
CYP2C9 P11712 2/20 0.63
DNASE1L3 Q13609 1/20 0.63
PRMT1 Q99873 1/20 0.60
FUT8 Q9BYC5 1/20 0.59
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HTT P42858 1/20 0.53
ENPP2 Q13822 7/20 0.50
PHLPP2 Q6ZVD8 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HIF1A Q16665 2/20 0.48
THRB P10828 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CD40 P25942 1/20 0.42
CD40LG P29965 1/20 0.42
TSHR P16473 1/20 0.42
PTPRA P18433 1/20 0.42
PTPRB P23467 1/20 0.42

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
SCHEMBL7586572 1.00 CYP1A2 (0.64) CYP1A2MAPK1CYP2C9DNASE1L3PRMT1
SCHEMBL4939211 0.88 CYP1A2 (0.65) CYP1A2MAPK1CYP2C9DNASE1L3PRMT1
SCHEMBL10350713 0.87 ENPP2 (0.58) CYP1A2MAPK1CYP2C9DNASE1L3PRMT1
SCHEMBL10350712 0.87 ENPP2 (0.58) CYP1A2MAPK1CYP2C9DNASE1L3PRMT1
SCHEMBL1472408 0.86 CYP1A2 (0.62) CYP1A2MAPK1CYP2C9DNASE1L3PRMT1
SCHEMBL1472399 0.86 CYP1A2 (0.62) CYP1A2MAPK1CYP2C9DNASE1L3PRMT1
SCHEMBL6229887 0.86 CYP1A2 (0.74) CYP1A2MAPK1CYP2C9DNASE1L3PRMT1
SCHEMBL13763680 0.86 CYP1A2 (0.64) CYP1A2MAPK1CYP2C9DNASE1L3PRMT1
SCHEMBL8453667 0.86 CYP1A2 (0.74) CYP1A2MAPK1CYP2C9DNASE1L3PRMT1
SCHEMBL29050868 0.85 CYP1A2 (0.61) CYP1A2MAPK1CYP2C9DNASE1L3PRMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0669381-B1 Dye, ink containing the same, and ink-jet recording method and instrument using the ink CANON KK (JP) 2002-09-11 EP disclosed
US-5733363-A WATER FASTNESS; SOLUTION SOLUBILITY CANON KABUSHIKI KAISHA (JP) 1998-03-31 US disclosed
EP-0669381-A2 Dye, ink containing the same, and ink-jet recording method and instrument using the ink CANON KABUSHIKI KAISHA (JP) 1995-08-30 EP disclosed