SCHEMBL10896861

SCHEMBL10896861

O=[N+]([O-])c1cc(S(=O)(=O)O)cc(N=Nc2c(O)ccc3ccccc23)c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 6/20 0.62
▸ CYP2C9 P11712 4/20 0.62
▸ TSHR P16473 2/20 0.62
▸ CYP2C19 P33261 2/20 0.62
▸ HSD17B10 Q99714 2/20 0.62
▸ HIF1A Q16665 2/20 0.62
▸ PTPRA P18433 1/20 0.62
▸ PTPRB P23467 1/20 0.62
▸ RAPGEF4 Q8WZA2 1/20 0.62
▸ MAPK1 P28482 4/20 0.57
▸ MAPT P10636 4/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ GAA P10253 3/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ MPL P40238 4/20 0.54
▸ CTRC Q99895 2/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ CYP3A4 P08684 1/20 0.53

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
SCHEMBL11759913 1.00 CYP1A2 (0.62) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL16378796 0.89 CYP1A2 (0.68) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL24026725 0.85 HPGD (0.51) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL3003884 0.83 CYP1A2 (0.77) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL3003885 0.83 CYP1A2 (0.77) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL29868768 0.83 CYP1A2 (0.57) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL4954382 0.83 CYP1A2 (0.57) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL4954369 0.83 CYP1A2 (0.57) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL4954416 0.83 CYP1A2 (0.57) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL2304219 0.82 CYP1A2 (0.76) CYP1A2CYP2C9TSHRCYP2C19HSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0059958-B1 PROCESS FOR PRODUCING POLYPHENYLENE OXIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-06-04 — — EP disclosed
US-4385168-A FROM OXIDATIVE POLYMERIZATION OF PHENOLIC MONOMER IN PRESENCE OF MANGANIUM SALT AND HYDROXYAZO AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-05-24 — — US disclosed
EP-0059958-A1 Process for producing polyphenylene oxide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-09-15 — — EP disclosed
US-4050945-A METALLIC COMPOUND REACTANT, CHELATING COMPOUND REACTANT, BINDER SUZUKI YOSHIO 1977-09-27 — — US disclosed
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