SCHEMBL13615254

SCHEMBL13615254

COc1ccc(C(N)=O)cc1N=Nc1ccc(N=Nc2c(SOOO)cc3cc(S(=O)(=O)O)c(N)cc3c2O)c2cc(S(=O)(=O)O)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.45
PHLPP2 Q6ZVD8 2/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.37
HIF1A Q16665 2/20 0.37
SENP3 Q9H4L4 3/20 0.36
SENP2 Q9HC62 3/20 0.36
SENP1 Q9P0U3 3/20 0.36
SUMO2 P61956 2/20 0.36
SUMO1 P63165 2/20 0.36
SENP7 Q9BQF6 2/20 0.36
CYP1A2 P05177 1/20 0.36
PRMT1 Q99873 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CD40 P25942 1/20 0.34

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
SCHEMBL13615269 0.92 ALDH1A1 (0.42) ENPP2PHLPP2MEN1THRBKMT2A
SCHEMBL13615263 0.91 ALDH1A1 (0.46) ENPP2PHLPP2MEN1THRBKMT2A
SCHEMBL13629441 0.90 ENPP2 (0.53) ENPP2PHLPP2MEN1THRBKMT2A
SCHEMBL13615266 0.90 MEN1 (0.41) ENPP2PHLPP2MEN1THRBKMT2A
SCHEMBL13615219 0.90 ENPP2 (0.44) ENPP2PHLPP2MEN1THRBKMT2A
SCHEMBL13615218 0.87 MEN1 (0.42) ENPP2PHLPP2MEN1THRBKMT2A
SCHEMBL4401276 0.86 ENPP2 (0.44) ENPP2PHLPP2MEN1THRBKMT2A
SCHEMBL13615280 0.85 MEN1 (0.45) ENPP2PHLPP2MEN1THRBKMT2A
SCHEMBL13010288 0.84 ALDH1A1 (0.47) ENPP2PHLPP2MEN1THRBKMT2A
SCHEMBL13597670 0.83 ENPP2 (0.45) ENPP2PHLPP2MEN1THRBKMT2A

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