SCHEMBL11257451

SCHEMBL11257451

CCCOCCOC(=O)C(C(C)=O)C(C(=O)CC)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
GLO1 Q04760 1/20 0.38
CACNA1F O60840 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37
ALDH1A1 P00352 4/20 0.37
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 3/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL11268977 0.94 LMNA (0.43) LMNANPSR1CYP3A4CYP2D6CYP2C9
SCHEMBL11269214 0.89 LMNA (0.43) LMNANPSR1CYP3A4CYP2D6CYP2C9
SCHEMBL11271125 0.88 LMNA (0.48) LMNANPSR1CYP3A4CYP2D6CYP2C9
SCHEMBL11270360 0.88 MEN1 (0.40) LMNANPSR1CYP3A4CYP2D6CYP2C9
SCHEMBL11270945 0.87 LMNA (0.48) LMNANPSR1CYP3A4CYP2D6CYP2C9
SCHEMBL11266938 0.86 ALDH1A1 (0.45) LMNACYP2D6L3MBTL1KMT2AMEN1
SCHEMBL11259382 0.85 CHRNB2 (0.47) LMNANPSR1CYP3A4CYP2D6CYP2C9
SCHEMBL11257484 0.85 ALDH1A1 (0.45) LMNANPSR1CYP3A4CYP2D6CYP2C9
SCHEMBL11264969 0.84 ALDH1A1 (0.48) LMNAL3MBTL1KMT2AMEN1HPGD
SCHEMBL11266663 0.83 MAPT (0.44) LMNANPSR1CYP3A4CYP2D6CYP2C9

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
US-4360520-A 1,4-Dihydropyridazine compounds, and their medicinal use BAYER AKTIENGESELLSCHAFT (DE) 1982-11-23 US disclosed