SCHEMBL13615265

SCHEMBL13615265

Nc1cc2c(O)c(N=Nc3ccc(N=Nc4ccc(Nc5ccc([N+](=O)[O-])cc5S(=O)(=O)O)cc4)c4ccc(S(=O)(=O)O)cc34)c(SOOO)cc2cc1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.41
CD40 P25942 1/20 0.39
CD40LG P29965 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ENPP2 Q13822 9/20 0.38
SENP3 Q9H4L4 2/20 0.38
SENP2 Q9HC62 2/20 0.38
SENP1 Q9P0U3 2/20 0.38
SUMO2 P61956 1/20 0.38
SUMO1 P63165 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
PHLPP2 Q6ZVD8 1/20 0.37
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36

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
SCHEMBL8931789 0.91 CYP2C9 (0.45) CD40CD40LGCYP2C9CYP2C19HSD17B10
SCHEMBL13629440 0.90 CD40 (0.48) NT5ECD40CD40LGCYP2C9CYP2C19
SCHEMBL13615205 0.87 ENPP2 (0.42) CD40CD40LGCYP2C9CYP2C19HSD17B10
SCHEMBL13597670 0.84 ENPP2 (0.45) CD40CD40LGCYP2C9CYP2C19HSD17B10
SCHEMBL13615246 0.83 CYP2C9 (0.47) CD40CD40LGCYP2C9CYP2C19HSD17B10
SCHEMBL13010288 0.83 ALDH1A1 (0.47) CD40CD40LGCYP2C9CYP2C19HSD17B10
SCHEMBL13615219 0.83 ENPP2 (0.44) CD40CD40LGCYP2C9CYP2C19HSD17B10
SCHEMBL13615252 0.82 ENPP2 (0.44) CD40CD40LGCYP2C9CYP2C19HSD17B10
SCHEMBL4401276 0.82 ENPP2 (0.44) CD40CD40LGCYP2C9CYP2C19HSD17B10
SCHEMBL13615228 0.82 ENPP2 (0.46) CD40CD40LGCYP2C9CYP2C19HSD17B10

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