SCHEMBL13763514

SCHEMBL13763514

Cc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccc4c(S(=O)(=O)O)cccc4c3S(=O)(=O)O)c(O)c12

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.57
MAPK1 P28482 2/20 0.57
CYP2C9 P11712 1/20 0.57
DNASE1L3 Q13609 1/20 0.57
PHLPP2 Q6ZVD8 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HTT P42858 1/20 0.56
ENPP2 Q13822 7/20 0.52
PRMT1 Q99873 1/20 0.52
THRB P10828 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 3/20 0.48
HIF1A Q16665 2/20 0.48
FUT8 Q9BYC5 1/20 0.44

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
SCHEMBL13763562 0.89 CYP1A2 (0.64) CYP1A2MAPK1CYP2C9DNASE1L3PHLPP2
SCHEMBL18218138 0.89 CYP1A2 (0.50) CYP1A2MAPK1CYP2C9DNASE1L3PHLPP2
SCHEMBL7588620 0.88 PHLPP2 (0.64) CYP1A2MAPK1CYP2C9DNASE1L3PHLPP2
SCHEMBL7588609 0.88 CYP1A2 (0.57) CYP1A2MAPK1CYP2C9DNASE1L3PHLPP2
SCHEMBL7588604 0.88 CYP1A2 (0.57) CYP1A2MAPK1CYP2C9DNASE1L3PHLPP2
SCHEMBL10619899 0.87 PHLPP2 (0.63) CYP1A2MAPK1CYP2C9DNASE1L3PHLPP2
SCHEMBL13763680 0.83 CYP1A2 (0.64) CYP1A2MAPK1CYP2C9DNASE1L3PHLPP2
SCHEMBL14493388 0.83 ENPP2 (0.65) CYP1A2MAPK1CYP2C9DNASE1L3PHLPP2
SCHEMBL11314815 0.82 CYP1A2 (0.57) CYP1A2MAPK1CYP2C9DNASE1L3PHLPP2
SCHEMBL11314841 0.82 CYP1A2 (0.57) CYP1A2MAPK1CYP2C9DNASE1L3PHLPP2

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
US-20160326384-A1 HIGH FIXATION INK COMPOSITION FOR DIGITAL TEXTILE PRINTING EVERLIGHT CHEMICAL INDUSTRIAL CORPORATION (TW) 2016-11-10 US disclosed
EP-3091056-A1 HIGH FIXATION INK COMPOSITION FOR DIGITAL TEXTILE PRINTING Everlight Chemical Industrial Corporation (TW) 2016-11-09 EP disclosed
EP-2080833-A2 Method of printing cellulosic fibre materials without an additional fixing process step Huntsman Advanced Materials (Switzerland) GmbH (CH) 2009-07-22 EP disclosed