SCHEMBL14339482

SCHEMBL14339482

COc1cc(N=Nc2ccc3cc(SOOO)c(N=Nc4cc(OC)c(N=Nc5ccc(N)cc5S(=O)(=O)O)cc4OC)c(O)c3c2)c(OC)cc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 7/20 0.44
▸ PHLPP2 Q6ZVD8 3/20 0.44
▸ PTPN11 Q06124 1/20 0.39
▸ APEX1 P27695 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ BRCA1 P38398 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ SLC10A1 Q14973 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL14351150 0.88 PHLPP2 (0.55) ENPP2PHLPP2APEX1MEN1ALDH1A1
SCHEMBL14339484 0.88 PHLPP2 (0.42) ENPP2PHLPP2PTPN11APEX1MEN1
SCHEMBL14339492 0.86 ENPP2 (0.41) ENPP2PHLPP2PTPN11APEX1MEN1
SCHEMBL14339495 0.84 ENPP2 (0.40) ENPP2PHLPP2PTPN11APEX1MEN1
SCHEMBL13994946 0.84 PHLPP2 (0.42) ENPP2PHLPP2PTPN11APEX1MEN1
SCHEMBL13615130 0.83 PTPN11 (0.46) ENPP2PHLPP2PTPN11APEX1MEN1
SCHEMBL13615190 0.83 PHLPP2 (0.46) ENPP2PHLPP2PTPN11APEX1MEN1
SCHEMBL14339486 0.82 PTPN11 (0.39) ENPP2PHLPP2PTPN11APEX1MEN1
SCHEMBL14339485 0.81 ENPP2 (0.44) ENPP2PHLPP2PTPN11PTPN1
SCHEMBL13615319 0.80 ENPP2 (0.40) ENPP2PHLPP2PTPN11APEX1MEN1

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-20070287830-A1 Trisazo Dye, Composition Containing the Same for Anisotropic Dye Film, Anisotropic Dye Film, and Polarizing Element MITSUBISHI CHEMICAL CORPORATION (JP) 2007-12-13 — — US disclosed
Send feedback