SCHEMBL9529936

SCHEMBL9529936

CCOC(=NC(=O)CC(C)=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
ALDH1A1 P00352 3/20 0.50
GAA P10253 3/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 4/20 0.46
MAPK1 P28482 3/20 0.46
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MEN1 O00255 3/20 0.44
KCNJ1 P48048 1/20 0.44
KCNH2 Q12809 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
PKM P14618 1/20 0.43
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL9530031 0.83 MAPT (0.48) MAPTALDH1A1GAAKDM4ELMNA
SCHEMBL10807090 0.76 LMNA (0.51) MAPTALDH1A1GAAKDM4ELMNA
SCHEMBL9529075 0.74 MAPT (0.46) MAPTALDH1A1GAAKDM4ELMNA
4-Nitrobenzoic Acid Ethyl Ester SCHEMBL1500579 0.74 KCNJ1 (0.68) MAPTALDH1A1KDM4ELMNAMAPK1
4-Nitrobenzoic Acid Ethyl Ester SCHEMBL21644730 0.73 KCNJ1 (0.64) MAPTALDH1A1KDM4ELMNAMAPK1
Ethyl Acetate SCHEMBL28503452 0.73 MAPK1 (0.71) MAPTALDH1A1GAAKDM4ELMNA
SCHEMBL11811932 0.72 MAPT (0.54) MAPTALDH1A1GAAKDM4ELMNA
4-Nitrobenzoic Acid Ethyl Ester SCHEMBL21246856 0.72 KCNJ1 (0.67) MAPTALDH1A1KDM4ELMNAMAPK1
4-Nitrobenzoic Acid Ethyl Ester SCHEMBL27941051 0.72 KCNJ1 (0.67) MAPTALDH1A1KDM4ELMNAMAPK1
4-Nitrobenzoic Acid Ethyl Ester SCHEMBL28242787 0.72 KCNJ1 (0.67) MAPTALDH1A1KDM4ELMNAMAPK1

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
EP-0536424-A1 NOVEL BENZOPYRAN DERIVATIVE Japan Tobacco Inc. (JP) 1993-04-14 EP disclosed