SCHEMBL20735294

SCHEMBL20735294

COc1cc(N=Nc2ccc(N=Nc3cc(C(=O)O)cc(C(=O)O)c3)c3ccc(S(=O)(=O)O)cc23)c(OC)cc1N=Nc1c(S(=O)(=O)O)cc2cc(Nc3ccccc3)ccc2c1O

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 11/20 0.65
▸ CD40 P25942 1/20 0.50
▸ CD40LG P29965 1/20 0.50
▸ PHLPP2 Q6ZVD8 3/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ PRMT3 O60678 1/20 0.47
▸ EP300 Q09472 1/20 0.47
▸ PRMT6 Q96LA8 1/20 0.47
▸ PRMT1 Q99873 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ HIF1A Q16665 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
SCHEMBL19235034 0.93 ENPP2 (0.66) ENPP2CD40CD40LGPHLPP2MEN1
SCHEMBL20735273 0.93 ENPP2 (0.58) ENPP2CD40CD40LGPHLPP2MEN1
SCHEMBL19958169 0.90 ENPP2 (0.65) ENPP2CD40CD40LGPHLPP2MEN1
SCHEMBL27100706 0.90 ENPP2 (0.56) ENPP2CD40CD40LGPHLPP2MEN1
SCHEMBL15386682 0.88 ENPP2 (0.69) ENPP2CD40CD40LGPHLPP2PRMT3
SCHEMBL20735430 0.88 ENPP2 (0.64) ENPP2CD40CD40LGPHLPP2MEN1
SCHEMBL19958209 0.88 ENPP2 (0.59) ENPP2CD40CD40LGPHLPP2PRMT3
SCHEMBL19235035 0.88 ENPP2 (0.67) ENPP2CD40CD40LGPHLPP2MEN1
SCHEMBL19235041 0.88 ENPP2 (0.76) ENPP2CD40CD40LGPHLPP2MEN1
SCHEMBL19235037 0.88 ENPP2 (0.73) ENPP2CD40CD40LGPHLPP2MEN1

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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