SCHEMBL17518455

SCHEMBL17518455

COc1cc(N=Nc2c(S(=O)(=O)O)cc3cc(Nc4ccc5c(O)c(N=Nc6cc(OC)c(N=Nc7ccc(S(=O)(=O)O)cc7S(=O)(=O)O)cc6OC)c(S(=O)(=O)O)cc5c4)ccc3c2OC)c(O)cc1N=Nc1ccc(S(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 11/20 0.62
▸ CD40 P25942 1/20 0.53
▸ CD40LG P29965 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ PHLPP2 Q6ZVD8 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ PTPN1 P18031 2/20 0.43
▸ CARM1 Q86X55 1/20 0.42
▸ PRMT1 Q99873 1/20 0.42

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 0.96 ENPP2 (0.68) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL20746930 0.96 ENPP2 (0.66) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL19958171 0.92 ENPP2 (0.73) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL19958238 0.88 ENPP2 (0.80) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL19235044 0.88 ENPP2 (0.75) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL19234935 0.88 ENPP2 (0.75) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL17518426 0.86 ENPP2 (0.66) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL19958166 0.86 ENPP2 (0.72) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL15628290 0.85 ENPP2 (0.66) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL19958239 0.85 ENPP2 (0.75) ENPP2CD40CD40LGALDH1A1HIF1A

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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