SCHEMBL11245341

SCHEMBL11245341

O=C1c2c([N+](=O)[O-])cc(S(=O)(=O)O)c(O)c2C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)O)c(O)c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
CASP6 P55212 2/20 0.46
NSD2 O96028 1/20 0.46
GAA P10253 1/20 0.46
PLCG1 P19174 1/20 0.46
DNMT1 P26358 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NQO1 P15559 1/20 0.45
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 4/20 0.42
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA9 Q16790 4/20 0.42
GPR35 Q9HC97 5/20 0.40

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
SCHEMBL11807919 1.00 HPGD (0.47) HPGDTP53CYP3A4TSHRSMN1; SMN2
Potassium Ion SCHEMBL11820275 0.98 HPGD (0.46) HPGDTP53CYP3A4TSHRSMN1; SMN2
Potassium Ion SCHEMBL11818734 0.98 HPGD (0.46) HPGDTP53CYP3A4TSHRSMN1; SMN2
SCHEMBL11820281 0.98 HPGD (0.46) HPGDTP53CYP3A4TSHRSMN1; SMN2
SCHEMBL11818742 0.98 HPGD (0.46) HPGDTP53CYP3A4TSHRSMN1; SMN2
SCHEMBL11807625 0.86 PGAM1 (0.42) HPGDTP53CYP3A4TSHRSMN1; SMN2
Potassium Ion SCHEMBL11818738 0.85 TP53 (0.46) HPGDTP53CYP3A4TSHRSMN1; SMN2
Potassium Ion SCHEMBL11820278 0.85 TP53 (0.46) HPGDTP53CYP3A4TSHRSMN1; SMN2
SCHEMBL29718898 0.80 HPGD (0.55) HPGDTP53CYP3A4TSHRSMN1; SMN2
SCHEMBL2139648 0.80 HPGD (0.55) HPGDTP53CYP3A4TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3983145-A Use of alpha-di(lower alkoxy) anthraquinones in the synthesis of Alizarin Saphirols TOMS RIVER CHEMICAL CORPORATION (US) 1976-09-28 US claimed
US-4350566-A DIGESTION; WOOD PULPING; PAPERMAKING BAYER AKTIENGESELLSCHAFT (DE) 1982-09-21 US disclosed
EP-0021264-A1 Process for the delignification of lignocellulosic materials BAYER AG (DE) 1981-01-07 EP disclosed
US-4016182-A Process for the production of aminoanthraquinone compounds SANDOZ LTD. (CH) 1977-04-05 US disclosed
US-3983145-A Use of alpha-di(lower alkoxy) anthraquinones in the synthesis of Alizarin Saphirols TOMS RIVER CHEMICAL CORPORATION (US) 1976-09-28 US disclosed