SCHEMBL13615176

SCHEMBL13615176

Nc1ccc2cc(SOOO)c(N=Nc3ccc(N=Nc4ccc(C(=O)Nc5cccc(SOOO)c5)cc4)c4ccc(S(=O)(=O)O)cc34)c(O)c2c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 13/20 0.40
CASP6 P55212 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
CD40 P25942 1/20 0.39
CD40LG P29965 1/20 0.39
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PTPN11 Q06124 1/20 0.37
PHLPP2 Q6ZVD8 1/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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 0.85 ENPP2 (0.44) ENPP2CASP6CTDSP1CD40CD40LG
SCHEMBL13615207 0.84 CASP6 (0.46) ENPP2CASP6CTDSP1CD40CD40LG
SCHEMBL13615242 0.84 ENPP2 (0.46) ENPP2CD40CD40LGMEN1THRB
SCHEMBL13615228 0.83 ENPP2 (0.46) ENPP2CASP6CTDSP1CD40CD40LG
SCHEMBL13615136 0.83 ATIC (0.47) ENPP2CYP2C9CYP2C19HSD17B10PTPN11
SCHEMBL13615179 0.81 MEN1 (0.43) ENPP2CD40CD40LGCYP2C9CYP2C19
SCHEMBL13615219 0.79 ENPP2 (0.44) ENPP2CD40CD40LGCYP2C9CYP2C19
SCHEMBL13597670 0.79 ENPP2 (0.45) ENPP2CD40CD40LGCYP2C9CYP2C19
SCHEMBL13615304 0.78 PTPN11 (0.39) ENPP2CYP2C9CYP2C19HSD17B10PTPN11
SCHEMBL13615140 0.78 PTPN11 (0.45) ENPP2CD40CD40LGCYP2C9CYP2C19

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