SCHEMBL13860829

SCHEMBL13860829

COc1cc(N=Nc2ccc3c(S(=O)(=O)O)cc(SOOO)cc3c2)ccc1N=Nc1cc(OC)c(N=Nc2c(SOOO)cc3cc(Nc4nc(N)nc(N)n4)ccc3c2O)cc1SOOO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 11/20 0.44
▸ PHLPP2 Q6ZVD8 2/20 0.41
▸ PRMT1 Q99873 2/20 0.40
▸ CARM1 Q86X55 1/20 0.40
▸ PTPN11 Q06124 1/20 0.38
▸ CD40 P25942 1/20 0.36
▸ CD40LG P29965 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ BRCA1 P38398 1/20 0.35
▸ RECQL P46063 1/20 0.35

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
SCHEMBL13860869 0.84 ENPP2 (0.47) ENPP2PHLPP2PRMT1CARM1PTPN11
SCHEMBL13860805 0.84 ENPP2 (0.44) ENPP2PHLPP2PRMT1CARM1PTPN11
SCHEMBL13860840 0.81 PRMT1 (0.39) ENPP2PHLPP2PRMT1CARM1PTPN11
SCHEMBL14357500 0.81 ENPP2 (0.49) ENPP2PHLPP2PRMT1PTPN11CD40
SCHEMBL13860930 0.80 ENPP2 (0.45) ENPP2PHLPP2PTPN11KDM4EMEN1
SCHEMBL13860859 0.80 ENPP2 (0.45) ENPP2PHLPP2PRMT1CARM1PTPN11
SCHEMBL14368798 0.80 ENPP2 (0.47) ENPP2PHLPP2PRMT1CARM1PTPN11
SCHEMBL13860845 0.79 CARM1 (0.39) ENPP2PHLPP2PRMT1CARM1CD40
SCHEMBL13860842 0.78 ENPP2 (0.44) ENPP2PHLPP2PRMT1CARM1PTPN11
SCHEMBL14357503 0.78 ENPP2 (0.48) ENPP2PHLPP2PRMT1PTPN11CD40

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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