SCHEMBL9529075

SCHEMBL9529075

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
MAPK1 P28482 2/20 0.42
AR P10275 2/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
CES1 P23141 1/20 0.41

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 0.78 MAPT (0.48) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL6444890 0.77 POLB (0.47) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL10807090 0.76 LMNA (0.51) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL9529936 0.74 MAPT (0.50) MAPTALDH1A1KDM4EGAAMEN1
4-Nitrobenzoic Acid Ethyl Ester SCHEMBL1500579 0.73 KCNJ1 (0.68) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL16089345 0.72 MAPK1 (0.50) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL10754805 0.72 MAPK1 (0.50) MAPTALDH1A1KDM4EGAAMEN1
4-Nitrobenzoic Acid Ethyl Ester SCHEMBL28242787 0.72 KCNJ1 (0.67) MAPTALDH1A1KDM4EMEN1KMT2A
4-Nitrobenzoic Acid Ethyl Ester SCHEMBL21246856 0.72 KCNJ1 (0.67) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL15599678 0.72 MAPK1 (0.50) MAPTALDH1A1KDM4EGAAMEN1

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