SCHEMBL20735300

SCHEMBL20735300

COc1ccc(Nc2ccc3c(O)c(N=Nc4cc(C)c(N=Nc5ccc(N=Nc6ccc(OC)cc6S(=O)(=O)O)c6cc(S(=O)(=O)O)ccc56)cc4OC)c(S(=O)(=O)O)cc3c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 10/20 0.68
▸ CD40 P25942 1/20 0.49
▸ CD40LG P29965 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ CARM1 Q86X55 1/20 0.46
▸ PRMT1 Q99873 1/20 0.46
▸ 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
▸ PHLPP2 Q6ZVD8 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41

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
SCHEMBL12757450 0.95 ENPP2 (0.72) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL14773719 0.95 ENPP2 (0.72) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL15386685 0.95 ENPP2 (0.72) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL20735295 0.94 ENPP2 (0.67) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL12757656 0.94 ENPP2 (0.68) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL12757648 0.94 ENPP2 (0.68) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL12757665 0.92 ENPP2 (0.73) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL20735426 0.92 CD40 (0.56) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL20735464 0.92 ENPP2 (0.72) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL20735320 0.92 ENPP2 (0.67) 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 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