SCHEMBL13860805

SCHEMBL13860805

COc1cc(N=Nc2c(SOOO)cc3cc(Nc4nc(N)nc(N)n4)ccc3c2O)c(OC)cc1N=Nc1ccc2c(S(=O)(=O)O)cccc2c1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 7/20 0.44
▸ PHLPP2 Q6ZVD8 1/20 0.43
▸ PRMT1 Q99873 2/20 0.38
▸ CARM1 Q86X55 1/20 0.38
▸ MEN1 O00255 2/20 0.34
▸ THRB P10828 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ BRCA1 P38398 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ BLM P54132 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
SCHEMBL13387399 0.84 PRMT1 (0.42) ENPP2PHLPP2PRMT1CARM1MEN1
SCHEMBL13860842 0.84 ENPP2 (0.44) ENPP2PHLPP2PRMT1CARM1CD40
SCHEMBL13387299 0.84 FUT8 (0.43) ENPP2PHLPP2PRMT1CARM1MEN1
SCHEMBL13860829 0.84 ENPP2 (0.44) ENPP2PHLPP2PRMT1CARM1MEN1
SCHEMBL13387197 0.84 FUT8 (0.46) ENPP2PHLPP2PRMT1CARM1MEN1
SCHEMBL14488862 0.83 MEN1 (0.37) ENPP2PHLPP2PRMT1CARM1MEN1
SCHEMBL13615204 0.82 ENPP2 (0.44) ENPP2PHLPP2MEN1THRBKMT2A
SCHEMBL14355349 0.80 ALDH1A1 (0.42) ENPP2PHLPP2MEN1THRBKMT2A
SCHEMBL8929061 0.79 PHLPP2 (0.48) ENPP2PHLPP2MEN1THRBKMT2A
SCHEMBL13949157 0.78 FUT8 (0.41) ENPP2PHLPP2PRMT1CARM1MEN1

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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