SCHEMBL20735430

SCHEMBL20735430

COc1cc(N=Nc2ccc(N=Nc3ccc(S(=O)(=O)O)cc3)c3ccc(S(=O)(=O)O)cc23)c2cc(S(=O)(=O)O)ccc2c1N=Nc1c(S(=O)(=O)O)cc2cc(Nc3ccccc3)ccc2c1O

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 10/20 0.64
▸ CD40 P25942 1/20 0.55
▸ CD40LG P29965 1/20 0.55
▸ MEN1 O00255 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ PRMT1 Q99873 2/20 0.49
▸ PRMT3 O60678 1/20 0.49
▸ EP300 Q09472 1/20 0.49
▸ PRMT6 Q96LA8 1/20 0.49
▸ PHLPP2 Q6ZVD8 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.46
▸ HIF1A Q16665 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CARM1 Q86X55 1/20 0.44

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
SCHEMBL20735849 0.93 ENPP2 (0.62) ENPP2CD40CD40LGMEN1THRB
SCHEMBL20735428 0.93 ENPP2 (0.69) ENPP2CD40CD40LGMEN1THRB
SCHEMBL20735425 0.92 ENPP2 (0.68) ENPP2CD40CD40LGMEN1THRB
SCHEMBL20735427 0.92 ENPP2 (0.61) ENPP2CD40CD40LGMEN1THRB
SCHEMBL20735471 0.92 ENPP2 (0.69) ENPP2CD40CD40LGMEN1THRB
SCHEMBL20735270 0.91 CD40 (0.64) ENPP2CD40CD40LGMEN1THRB
SCHEMBL20735312 0.91 CD40 (0.64) ENPP2CD40CD40LGMEN1THRB
SCHEMBL17545735 0.90 ENPP2 (0.73) ENPP2CD40CD40LGMEN1THRB
SCHEMBL19235037 0.90 ENPP2 (0.73) ENPP2CD40CD40LGMEN1THRB
SCHEMBL17518422 0.90 ENPP2 (0.70) ENPP2CD40CD40LGMEN1THRB

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-20190048194-A1 Azo Compound Or Salt Thereof, And Polarizing Film Containing Same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2019-02-14 — — US disclosed
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