SCHEMBL13629241

SCHEMBL13629241

Nc1cc2c(O)c(N=Nc3ccc(N=Nc4cccc(NC(=O)c5ccccc5)c4)c4ccc(S(=O)(=O)O)cc34)c(S(=O)(=O)O)cc2cc1S(=O)(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 11/20 0.57
CD40 P25942 1/20 0.53
CD40LG P29965 1/20 0.53
PRMT3 O60678 1/20 0.48
EP300 Q09472 1/20 0.48
PRMT6 Q96LA8 1/20 0.48
PRMT1 Q99873 1/20 0.48
MEN1 O00255 1/20 0.47
THRB P10828 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
HIF1A Q16665 1/20 0.45
SENP3 Q9H4L4 4/20 0.44
SENP2 Q9HC62 4/20 0.44
SENP1 Q9P0U3 4/20 0.44
SUMO2 P61956 2/20 0.44
SUMO1 P63165 2/20 0.44
SENP7 Q9BQF6 2/20 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
SCHEMBL13629304 0.93 ENPP2 (0.55) ENPP2CD40CD40LGPRMT3EP300
SCHEMBL13629261 0.93 ENPP2 (0.57) ENPP2CD40CD40LGPRMT3EP300
SCHEMBL13615242 0.90 ENPP2 (0.46) ENPP2CD40CD40LGPRMT3EP300
SCHEMBL13629543 0.89 ENPP2 (0.51) ENPP2CD40CD40LGMEN1THRB
SCHEMBL13629282 0.87 CD40 (0.49) ENPP2CD40CD40LGMEN1THRB
SCHEMBL9331595 0.87 SENP3 (0.56) ENPP2CD40CD40LGMEN1THRB
SCHEMBL9331586 0.87 SENP3 (0.56) ENPP2CD40CD40LGMEN1THRB
SCHEMBL13629217 0.83 ATIC (0.54) ENPP2CD40CD40LGMEN1THRB
SCHEMBL9332175 0.83 CD40 (0.57) ENPP2CD40CD40LGMEN1THRB
SCHEMBL9332169 0.83 CD40 (0.57) ENPP2CD40CD40LGMEN1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275742-A1 COLORING MATTER FOR ANISOTROPIC COLORING MATTER FILM, COMPOSITION COMPRISING SAID COLORING MATTER, ANISOTROPIC COLORING MATTER FILM, AND POLARIZING ELEMENT MITSUBISHI CHEMICAL CORPORATION (JP) 2009-11-05 US disclosed
EP-1867684-A1 COLORING MATTER FOR ANISOTROPIC COLORING MATTER FILM, COMPOSITION COMPRISING SAID COLORING MATTER, ANISOTROPIC COLORING MATTER FILM, AND POLARIZING ELEMENT Mitsubishi Chemical Corporation (JP) 2007-12-19 EP disclosed