SCHEMBL20735320

SCHEMBL20735320

COc1ccc(Nc2ccc3c(O)c(N=Nc4cc(C)c(N=Nc5ccc(N=Nc6ccc7c(S(=O)(=O)O)cc(S(=O)(=O)O)cc7c6)c6ccc(S(=O)(=O)O)cc56)cc4OC)c(S(=O)(=O)O)cc3c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 11/20 0.67
▸ CD40 P25942 1/20 0.49
▸ CD40LG P29965 1/20 0.49
▸ CARM1 Q86X55 1/20 0.48
▸ PRMT1 Q99873 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ MEN1 O00255 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ PHLPP2 Q6ZVD8 1/20 0.42
▸ PTPN1 P18031 2/20 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
SCHEMBL20735285 0.97 ENPP2 (0.66) ENPP2CD40CD40LGCARM1PRMT1
SCHEMBL20735284 0.94 ENPP2 (0.76) ENPP2CD40CD40LGPRMT1ALDH1A1
SCHEMBL20735990 0.94 ENPP2 (0.59) ENPP2CD40CD40LGCARM1PRMT1
SCHEMBL20735992 0.94 ENPP2 (0.59) ENPP2CD40CD40LGCARM1PRMT1
SCHEMBL20735993 0.94 ENPP2 (0.59) ENPP2CD40CD40LGCARM1PRMT1
SCHEMBL20735384 0.93 ENPP2 (0.59) ENPP2CD40CD40LGCARM1PRMT1
SCHEMBL20735300 0.92 ENPP2 (0.68) ENPP2CD40CD40LGCARM1PRMT1
SCHEMBL15386657 0.92 ENPP2 (0.68) ENPP2CD40CD40LGCARM1PRMT1
SCHEMBL15386674 0.92 ENPP2 (0.68) ENPP2CD40CD40LGCARM1PRMT1
SCHEMBL15386670 0.92 ENPP2 (0.68) ENPP2CD40CD40LGCARM1PRMT1

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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