SCHEMBL9717042

SCHEMBL9717042

Cc1ccc(C(=O)c2ccccc2[N+](=O)[O-])c(C)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.52
▸ MAPK13 O15264 1/20 0.51
▸ MAPK12 P53778 1/20 0.51
▸ MAPK11 Q15759 1/20 0.51
▸ MAPK14 Q16539 1/20 0.51
▸ RAB9A P51151 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ NFKB1 P19838 2/20 0.50
▸ NFKB2 Q00653 2/20 0.50
▸ RELA Q04206 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RECQL P46063 1/20 0.49
▸ PAX8 Q06710 1/20 0.49
▸ KDM4E B2RXH2 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL31406948 0.84 KCNMA1 (0.56) POLBRAB9AALDH1A1HPGDGAA
SCHEMBL7262531 0.83 GAA (0.60) POLBRAB9AALDH1A1HPGDGAA
SCHEMBL975117 0.82 ALDH1A1 (0.68) RAB9AALDH1A1GAASMN1; SMN2NPC1
SCHEMBL31406949 0.81 HTT (0.56) POLBRAB9AALDH1A1HPGDGAA
SCHEMBL11756227 0.80 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14RAB9A
SCHEMBL28054540 0.79 AKR1C3 (0.57) POLBRAB9AALDH1A1HPGDGAA
SCHEMBL28395903 0.79 TSHR (0.62) POLBALDH1A1KCNMA1HSD17B10CYP3A4
SCHEMBL31369141 0.78 LMNA (0.50) RAB9AALDH1A1NFKB1NFKB2RELA
SCHEMBL286054 0.78 LMNA (0.50) RAB9AALDH1A1NFKB1NFKB2RELA
SCHEMBL9215380 0.78 POLB (0.59) POLBALDH1A1HPGDKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0499450-A1 Synthesis of 1-aminoanthraquinone HOECHST CELANESE CORPORATION (US) 1992-08-19 — — EP disclosed
US-5130448-A Condensing ortho substituted benzoic acid and xylene, oxidation, ring closure, ammonolysis and decarboxyalation HOECHST CELANESE CORPORATION (US) 1992-07-14 — — US disclosed
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