SCHEMBL30832833

SCHEMBL30832833

Cn1c(=O)n(C)c2cc(Nc3ccccc3[N+](=O)[O-])ccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 7/20 0.63
▸ ALDH1A1 P00352 5/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ CASP7 P55210 1/20 0.54
▸ GAA P10253 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ PIK3CA P42336 1/20 0.48
▸ TRIM24 O15164 1/20 0.47
▸ MAPK13 O15264 1/20 0.46
▸ MAPK12 P53778 1/20 0.46
▸ MAPK11 Q15759 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46
▸ EPAS1 Q99814 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ TP53 P04637 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46

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
SCHEMBL20772927 1.00 PKM (0.63) PKMALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL31737098 0.79 MAPT (0.55) PKMALDH1A1MAPK1L3MBTL1GAA
SCHEMBL30832795 0.78 TRIM24 (0.51) PKMALDH1A1TDP1GAAMEN1
SCHEMBL20777319 0.78 SMN1; SMN2 (0.54) PKMALDH1A1GAAMAPTTRIM24
SCHEMBL20772684 0.78 TRIM24 (0.51) PKMALDH1A1TDP1GAAMEN1
SCHEMBL11506844 0.76 ALDH1A1 (0.89) PKMALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL30615425 0.76 MAPK1 (0.50) PKMALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL24865481 0.75 TRIM24 (0.61) PKMALDH1A1GAAMEN1MAPT
SCHEMBL7167600 0.75 TDP1 (0.79) PKMALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL26468007 0.74 TDP1 (0.77) PKMALDH1A1MAPK1TDP1L3MBTL1

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
CN-111315735-B Dihydrobenzimidazolone C4医药公司 2024-03-08 — — CN disclosed
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