SCHEMBL13860842

SCHEMBL13860842

CNc1nc(NC)nc(Nc2ccc3c(O)c(N=Nc4cc(OC)c(N=Nc5cc(OC)c(N=Nc6cc(S(=O)(=O)O)c7cccc(S(=O)(=O)O)c7c6)cc5OC)cc4OC)c(SOOO)cc3c2)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 9/20 0.44
▸ PRMT1 Q99873 2/20 0.41
▸ CARM1 Q86X55 1/20 0.41
▸ PHLPP2 Q6ZVD8 1/20 0.40
▸ ATIC P31939 1/20 0.38
▸ SUMO2 P61956 1/20 0.38
▸ SUMO1 P63165 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP2 Q9HC62 1/20 0.38
▸ PTPN11 Q06124 1/20 0.36
▸ CD40 P25942 1/20 0.35
▸ CD40LG P29965 1/20 0.35
▸ PRMT3 O60678 1/20 0.34
▸ EP300 Q09472 1/20 0.34
▸ PRMT6 Q96LA8 1/20 0.34
▸ MPL P40238 1/20 0.34
▸ FUT8 Q9BYC5 1/20 0.33
▸ PTK2 Q05397 1/20 0.33

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
SCHEMBL14523615 0.87 ENPP2 (0.58) ENPP2PRMT1PHLPP2ATICSUMO2
SCHEMBL13860805 0.84 ENPP2 (0.44) ENPP2PRMT1CARM1PHLPP2PTPN11
SCHEMBL13860891 0.80 CD40 (0.40) ENPP2PRMT1CARM1PHLPP2PTPN11
SCHEMBL20746886 0.79 ENPP2 (0.58) ENPP2PRMT1CARM1PHLPP2ATIC
SCHEMBL19235045 0.79 ENPP2 (0.64) ENPP2PRMT1CARM1PHLPP2ATIC
SCHEMBL17545777 0.79 ENPP2 (0.64) ENPP2PRMT1CARM1PHLPP2ATIC
SCHEMBL13935187 0.79 ENPP2 (0.54) ENPP2PRMT1CARM1PHLPP2CD40
SCHEMBL13860829 0.78 ENPP2 (0.44) ENPP2PRMT1CARM1PHLPP2PTPN11
SCHEMBL12054240 0.78 PRMT1 (0.36) ENPP2PRMT1CARM1PHLPP2ATIC
SCHEMBL13615198 0.78 PHLPP2 (0.41) ENPP2PHLPP2ATICSUMO2SUMO1

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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