SCHEMBL14338694

SCHEMBL14338694

COc1cc(/N=N\c2ccc(/N=N\c3cc4nn(-c5cccc(S(=O)(=O)O)c5)nc4cc3S(=O)(=O)O)c(C)c2)c(C)cc1/N=N\c1c(S(=O)(=O)O)cc2cc(NC=O)ccc2c1O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 11/20 0.53
▸ CD40 P25942 1/20 0.43
▸ CD40LG P29965 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ PHLPP2 Q6ZVD8 1/20 0.38
▸ PRMT3 O60678 1/20 0.36
▸ EP300 Q09472 1/20 0.36
▸ PRMT6 Q96LA8 1/20 0.36
▸ PRMT1 Q99873 1/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PTPN1 P18031 2/20 0.34

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
SCHEMBL14338560 0.95 ENPP2 (0.51) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL14338697 0.94 ENPP2 (0.57) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL14338727 0.88 ENPP2 (0.53) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL14338728 0.84 ENPP2 (0.49) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL14338557 0.83 ENPP2 (0.53) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL14394262 0.83 ENPP2 (0.59) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL14338704 0.81 ENPP2 (0.49) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL14394240 0.81 ENPP2 (0.62) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL14394263 0.80 ENPP2 (0.59) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL14338719 0.80 ENPP2 (0.53) 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-7304147-B2 Azo compound and salt thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-12-04 — — US disclosed
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