SCHEMBL13615207

SCHEMBL13615207

Nc1cc2c(O)c(N=Nc3ccc(N=Nc4ccc(C(=O)Nc5ccc6c(O)cc(SOOO)cc6c5)cc4)c4ccc(S(=O)(=O)O)cc34)c(SOOO)cc2cc1S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
CD40 P25942 1/20 0.46
CD40LG P29965 1/20 0.46
ENPP2 Q13822 13/20 0.45
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PRMT3 O60678 1/20 0.37
EP300 Q09472 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
PRMT1 Q99873 1/20 0.37

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 0.90 ENPP2 (0.44) CASP6CTDSP1CD40CD40LGENPP2
SCHEMBL13615228 0.90 ENPP2 (0.46) CASP6CTDSP1CD40CD40LGENPP2
SCHEMBL13615144 0.90 SENP3 (0.43) CD40CD40LGENPP2MEN1THRB
SCHEMBL13615219 0.87 ENPP2 (0.44) CD40CD40LGENPP2MEN1THRB
SCHEMBL13615242 0.87 ENPP2 (0.46) CD40CD40LGENPP2MEN1THRB
SCHEMBL13597670 0.87 ENPP2 (0.45) CD40CD40LGENPP2MEN1THRB
SCHEMBL13615195 0.84 MEN1 (0.42) ENPP2MEN1THRBKMT2ATDP1
SCHEMBL13615176 0.84 ENPP2 (0.40) CASP6CTDSP1CD40CD40LGENPP2
SCHEMBL13010288 0.83 ALDH1A1 (0.47) CD40CD40LGENPP2MEN1THRB
SCHEMBL13615246 0.83 CYP2C9 (0.47) CD40CD40LGENPP2MEN1THRB

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