SCHEMBL13615228

SCHEMBL13615228

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 13/20 0.46
CD40 P25942 1/20 0.45
CD40LG P29965 1/20 0.45
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PRMT3 O60678 1/20 0.42
EP300 Q09472 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT1 Q99873 1/20 0.42
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
HIF1A Q16665 1/20 0.39
CASP6 P55212 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38

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
SCHEMBL13615238 0.97 ENPP2 (0.44) ENPP2CD40CD40LGMEN1THRB
SCHEMBL13615242 0.94 ENPP2 (0.46) ENPP2CD40CD40LGMEN1THRB
SCHEMBL13615207 0.90 CASP6 (0.46) ENPP2CD40CD40LGMEN1THRB
SCHEMBL13629261 0.89 ENPP2 (0.57) ENPP2CD40CD40LGMEN1THRB
SCHEMBL13615219 0.88 ENPP2 (0.44) ENPP2CD40CD40LGMEN1THRB
SCHEMBL13615205 0.88 ENPP2 (0.42) ENPP2CD40CD40LGMEN1THRB
SCHEMBL13615218 0.87 MEN1 (0.42) ENPP2CD40CD40LGMEN1THRB
SCHEMBL13597670 0.87 ENPP2 (0.45) ENPP2CD40CD40LGMEN1THRB
SCHEMBL13615246 0.86 CYP2C9 (0.47) ENPP2CD40CD40LGMEN1THRB
SCHEMBL13010288 0.86 ALDH1A1 (0.47) 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 1 patent. 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