SCHEMBL13629261

SCHEMBL13629261

Nc1cc2c(O)c(N=Nc3ccc(N=Nc4ccc(NC(=O)c5ccccc5)cc4)c4ccc(S(=O)(=O)O)cc34)c(S(=O)(=O)O)cc2cc1S(=O)(=O)O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 12/20 0.57
CD40 P25942 1/20 0.56
CD40LG P29965 1/20 0.56
PRMT3 O60678 1/20 0.52
EP300 Q09472 1/20 0.52
PRMT6 Q96LA8 1/20 0.52
PRMT1 Q99873 1/20 0.52
MEN1 O00255 1/20 0.49
THRB P10828 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP1A2 P05177 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HIF1A Q16665 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
SCHEMBL13629304 0.97 ENPP2 (0.55) ENPP2CD40CD40LGPRMT3EP300
SCHEMBL13629241 0.93 ENPP2 (0.57) ENPP2CD40CD40LGPRMT3EP300
SCHEMBL13615228 0.89 ENPP2 (0.46) ENPP2CD40CD40LGPRMT3EP300
SCHEMBL17933530 0.87 CD40 (0.56) ENPP2CD40CD40LGPRMT3EP300
SCHEMBL29635262 0.87 CD40 (0.57) ENPP2CD40CD40LGMEN1THRB
SCHEMBL5177418 0.87 CD40 (0.57) ENPP2CD40CD40LGMEN1THRB
SCHEMBL8946989 0.87 CD40 (0.57) ENPP2CD40CD40LGMEN1THRB
SCHEMBL9332169 0.87 CD40 (0.57) ENPP2CD40CD40LGMEN1THRB
SCHEMBL9332175 0.87 CD40 (0.57) ENPP2CD40CD40LGMEN1THRB
SCHEMBL13615238 0.86 ENPP2 (0.44) ENPP2CD40CD40LGPRMT3EP300

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