SCHEMBL12849446

SCHEMBL12849446

CC(C)Oc1c(-c2ccccc2Nc2ccccc2[N+](=O)[O-])c(=O)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 7/20 0.45
▸ MAPT P10636 7/20 0.45
▸ TDP1 Q9NUW8 5/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ L3MBTL1 Q9Y468 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ LMNA P02545 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ GAA P10253 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ S100A4 P26447 2/20 0.40
▸ PTPRC P08575 1/20 0.40
▸ EPAS1 Q99814 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39

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
SCHEMBL12849803 0.80 L3MBTL1 (0.49) MAPK1MAPTTDP1MEN1KMT2A
SCHEMBL11650656 0.73 S100A4 (0.61) MAPK1MAPTTDP1MEN1KMT2A
SCHEMBL397773 0.72 MAPK1 (0.77) MAPK1MAPTTDP1MEN1KMT2A
SCHEMBL2423134 0.70 ALDH1A1 (0.65) MAPK1MAPTTDP1MEN1KMT2A
SCHEMBL8564440 0.69 PLAUR (0.39) MAPK1MAPTTDP1MEN1KMT2A
SCHEMBL2421019 0.69 MAPK1 (0.57) MAPK1MAPTTDP1MEN1KMT2A
SCHEMBL9121071 0.67 MAPK1 (0.62) MAPK1MAPTTDP1MEN1KMT2A
SCHEMBL4055339 0.67 MAPK1 (0.62) MAPK1MAPTTDP1MEN1KMT2A
SCHEMBL4940856 0.66 L3MBTL1 (0.68) MAPK1MAPTTDP1MEN1KMT2A
SCHEMBL30819288 0.66 L3MBTL1 (0.68) MAPK1MAPTTDP1MEN1KMT2A

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
WO-2011034051-A1 NOVEL CYCLIC SQUARAMIDE DERIVATIVES 参天製薬株式会社 (JP) 2011-03-24 — — WO disclosed
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