SCHEMBL13860869

SCHEMBL13860869

COc1cc(N=Nc2cccc(SOOO)c2)ccc1N=Nc1ccc(N=Nc2cc(OC)c(N=Nc3c(SOOO)cc4cc(Nc5nc(N)nc(Nc6ccc(S(=O)(=O)O)cc6)n5)ccc4c3O)cc2C)cc1C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 11/20 0.47
▸ CARM1 Q86X55 1/20 0.36
▸ PRMT1 Q99873 1/20 0.36
▸ CD40 P25942 1/20 0.35
▸ CD40LG P29965 1/20 0.35
▸ PHLPP2 Q6ZVD8 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ PTPN11 Q06124 1/20 0.32
▸ PTPN1 P18031 1/20 0.31

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
SCHEMBL13860859 0.87 ENPP2 (0.45) ENPP2CARM1PRMT1CD40CD40LG
SCHEMBL13935187 0.84 ENPP2 (0.54) ENPP2CARM1PRMT1CD40CD40LG
SCHEMBL13860829 0.84 ENPP2 (0.44) ENPP2CARM1PRMT1CD40CD40LG
SCHEMBL13860822 0.83 ENPP2 (0.53) ENPP2CARM1PRMT1CD40CD40LG
SCHEMBL13860884 0.83 ENPP2 (0.53) ENPP2CARM1PRMT1CD40CD40LG
SCHEMBL13860889 0.82 ENPP2 (0.45) ENPP2CD40CD40LGPHLPP2ALDH1A1
SCHEMBL13860824 0.82 ENPP2 (0.37) ENPP2CARM1PRMT1PHLPP2
SCHEMBL13286618 0.79 ENPP2 (0.43) ENPP2PHLPP2ALDH1A1HIF1APTPN11
SCHEMBL13860890 0.79 PHLPP2 (0.43) ENPP2PHLPP2ALDH1A1HIF1APTPN11
SCHEMBL14029011 0.79 ENPP2 (0.43) ENPP2PHLPP2ALDH1A1HIF1APTPN11

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-7527862-B2 Dyes for anisotropic dye films, dye compositions for anisotropic dye films, anisotropic dye films and polarizing elements MITSUBISHI CHEMICAL CORPORATION (JP) 2009-05-05 — — US disclosed
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