SCHEMBL20735849

SCHEMBL20735849

COc1cc(N=Nc2ccc(N=Nc3ccc4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c4c3)c3ccc(S(=O)(=O)O)cc23)c2cc(S(=O)(=O)O)ccc2c1N=Nc1c(S(=O)(=O)O)cc2cc(Nc3ccccc3)ccc2c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 10/20 0.62
▸ CD40 P25942 1/20 0.49
▸ CD40LG P29965 1/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ PHLPP2 Q6ZVD8 3/20 0.45
▸ PRMT3 O60678 1/20 0.45
▸ EP300 Q09472 1/20 0.45
▸ PRMT6 Q96LA8 1/20 0.45
▸ PRMT1 Q99873 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ NSD2 O96028 1/20 0.42
▸ DUSP3 P51452 1/20 0.42
▸ PTPN5 P54829 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ CASP6 P55212 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
SCHEMBL20735845 0.94 ENPP2 (0.56) ENPP2CD40CD40LGMEN1THRB
SCHEMBL20735430 0.93 ENPP2 (0.64) ENPP2CD40CD40LGMEN1THRB
SCHEMBL20735259 0.93 ENPP2 (0.73) ENPP2CD40CD40LGPHLPP2PRMT3
SCHEMBL20735413 0.92 ENPP2 (0.54) ENPP2CD40CD40LGMEN1THRB
SCHEMBL20735455 0.92 ENPP2 (0.61) ENPP2CD40CD40LGMEN1THRB
SCHEMBL20735382 0.92 ENPP2 (0.61) ENPP2CD40CD40LGMEN1THRB
SCHEMBL20735429 0.91 ENPP2 (0.60) ENPP2CD40CD40LGMEN1THRB
SCHEMBL20735321 0.91 ENPP2 (0.59) ENPP2CD40CD40LGPHLPP2PRMT3
SCHEMBL19235086 0.90 ENPP2 (0.72) ENPP2CD40CD40LGPHLPP2PRMT3
SCHEMBL19235042 0.90 ENPP2 (0.72) ENPP2CD40CD40LGPHLPP2PRMT3

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
Send feedback