SCHEMBL13615148

SCHEMBL13615148

COc1cc(N=Nc2ccc3ccc(SOOO)cc3c2)ccc1N=Nc1cc(C)c(N=Nc2c(SOOO)cc3cc(S(=O)(=O)O)c(N)cc3c2O)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 9/20 0.46
PTPN11 Q06124 1/20 0.43
PHLPP2 Q6ZVD8 3/20 0.41
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
APEX1 P27695 1/20 0.35
MAPK1 P28482 1/20 0.35
BRCA1 P38398 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
SLC10A1 Q14973 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL14029011 0.93 ENPP2 (0.43) ENPP2PTPN11PHLPP2MEN1KMT2A
SCHEMBL13286618 0.93 ENPP2 (0.43) ENPP2PTPN11PHLPP2MEN1KMT2A
SCHEMBL13615130 0.93 PTPN11 (0.46) ENPP2PTPN11PHLPP2MEN1KMT2A
SCHEMBL13860923 0.92 ENPP2 (0.43) ENPP2PTPN11PHLPP2MEN1KMT2A
SCHEMBL13860930 0.91 ENPP2 (0.45) ENPP2PTPN11PHLPP2MEN1KMT2A
SCHEMBL13860946 0.90 ENPP2 (0.46) ENPP2PTPN11PHLPP2MEN1KMT2A
SCHEMBL13615330 0.90 ENPP2 (0.45) ENPP2PTPN11PHLPP2MEN1KMT2A
SCHEMBL13860890 0.90 PHLPP2 (0.43) ENPP2PTPN11PHLPP2MEN1KMT2A
SCHEMBL13615169 0.90 ENPP2 (0.46) ENPP2PTPN11PHLPP2MEN1KMT2A
SCHEMBL13615143 0.89 ENPP2 (0.48) ENPP2PTPN11PHLPP2MEN1KMT2A

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