SCHEMBL13860840

SCHEMBL13860840

COc1cc(N=Nc2cc3c(S(=O)(=O)O)cc(SOOO)cc3cc2S(=O)(=O)O)ccc1N=Nc1ccc(N=Nc2c(SOOO)cc3cc(Nc4nc(SC)nc(SC)n4)ccc3c2O)c2ccc(SOOO)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 2/20 0.39
▸ CARM1 Q86X55 1/20 0.39
▸ ENPP2 Q13822 11/20 0.38
▸ PTPN11 Q06124 1/20 0.37
▸ PHLPP2 Q6ZVD8 1/20 0.37
▸ CD40 P25942 1/20 0.36
▸ CD40LG P29965 1/20 0.36
▸ PRMT3 O60678 1/20 0.33
▸ EP300 Q09472 1/20 0.33
▸ PRMT6 Q96LA8 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ APEX1 P27695 1/20 0.30

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
SCHEMBL13860829 0.81 ENPP2 (0.44) PRMT1CARM1ENPP2PTPN11PHLPP2
SCHEMBL13860891 0.78 CD40 (0.40) PRMT1CARM1ENPP2PTPN11PHLPP2
SCHEMBL13860859 0.77 ENPP2 (0.45) PRMT1CARM1ENPP2PTPN11PHLPP2
SCHEMBL13088674 0.76 ENPP2 (0.45) PRMT1CARM1ENPP2PTPN11PHLPP2
SCHEMBL13860819 0.75 CARM1 (0.37) PRMT1CARM1PTPN11CD40CD40LG
SCHEMBL14020338 0.75 CARM1 (0.38) PRMT1CARM1ENPP2PTPN11CD40
SCHEMBL13088671 0.75 ENPP2 (0.53) PRMT1CARM1ENPP2PTPN11PHLPP2
SCHEMBL13088681 0.74 ENPP2 (0.46) PRMT1CARM1ENPP2PTPN11PHLPP2
SCHEMBL13860845 0.74 CARM1 (0.39) PRMT1CARM1ENPP2PHLPP2CD40
SCHEMBL14408057 0.74 ENPP2 (0.43) ENPP2PTPN11PHLPP2CD40CD40LG

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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