SCHEMBL17518426

SCHEMBL17518426

COc1cc(N=Nc2ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2)c(C)cc1N=Nc1c(S(=O)(=O)O)cc2cc(Nc3ccc4c(OC)c(N=Nc5cc(C)c(N=Nc6ccc7cc(S(=O)(=O)O)cc(S(=O)(=O)O)c7c6)cc5O)c(S(=O)(=O)O)cc4c3)ccc2c1O

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 11/20 0.66
▸ CD40 P25942 1/20 0.46
▸ CD40LG P29965 1/20 0.46
▸ PTPN1 P18031 2/20 0.44
▸ PHLPP2 Q6ZVD8 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ PRMT1 Q99873 2/20 0.40
▸ CARM1 Q86X55 1/20 0.40
▸ PRMT3 O60678 1/20 0.40
▸ EP300 Q09472 1/20 0.40
▸ PRMT6 Q96LA8 1/20 0.40

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
SCHEMBL15628313 0.91 ENPP2 (0.68) ENPP2CD40CD40LGPTPN1PHLPP2
SCHEMBL20746884 0.90 ENPP2 (0.60) ENPP2CD40CD40LGPHLPP2ALDH1A1
SCHEMBL17545760 0.90 ENPP2 (0.78) ENPP2CD40CD40LGPTPN1PHLPP2
SCHEMBL18910727 0.90 ENPP2 (0.78) ENPP2CD40CD40LGPTPN1PHLPP2
SCHEMBL19958147 0.89 ENPP2 (0.70) ENPP2CD40CD40LGPHLPP2PRMT1
SCHEMBL15628312 0.89 ENPP2 (0.60) ENPP2CD40CD40LGPTPN1PHLPP2
SCHEMBL14647841 0.88 ENPP2 (0.64) ENPP2CD40CD40LGPTPN1PHLPP2
SCHEMBL19235108 0.87 ENPP2 (0.61) ENPP2CD40CD40LGPHLPP2
SCHEMBL19958244 0.87 ENPP2 (0.70) ENPP2CD40CD40LGPTPN1PHLPP2
SCHEMBL12994727 0.87 ENPP2 (0.62) ENPP2CD40CD40LGPTPN1PHLPP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170153361-A1 Achromatic Polarizing Plate With High-Transmissivity And High-Degree Of Polarization NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2017-06-01 — — US disclosed
US-20160041321-A1 Achromatic Dye-Based Highly-Transmissive Polarization Element, And Polarization Plate NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-02-11 — — US disclosed
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