SCHEMBL11268977

SCHEMBL11268977

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.43
NPSR1 Q6W5P4 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KMT2A Q03164 5/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 4/20 0.37
MAPT P10636 2/20 0.37
CACNA1F O60840 2/20 0.37
CACNA1D Q01668 2/20 0.37
CACNA1S Q13698 2/20 0.37
CACNA1C Q13936 2/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL11257451 0.94 LMNA (0.40) LMNANPSR1CYP3A4CYP2C9CYP2D6
SCHEMBL11271125 0.90 LMNA (0.48) LMNANPSR1CYP3A4CYP2C9CYP2D6
SCHEMBL11269214 0.88 LMNA (0.43) LMNANPSR1CYP3A4CYP2C9CYP2D6
SCHEMBL11270360 0.86 MEN1 (0.40) LMNANPSR1CYP3A4CYP2C9CYP2D6
SCHEMBL11270945 0.85 LMNA (0.48) LMNANPSR1CYP3A4CYP2C9CYP2D6
SCHEMBL11266938 0.84 ALDH1A1 (0.45) LMNACYP2D6ALDH1A1KMT2AMAPK1
SCHEMBL11259382 0.84 CHRNB2 (0.47) LMNANPSR1CYP3A4CYP2C9CYP2D6
SCHEMBL11257484 0.83 ALDH1A1 (0.45) LMNANPSR1CYP3A4CYP2C9CYP2D6
SCHEMBL11264969 0.82 ALDH1A1 (0.48) LMNAALDH1A1KMT2AHPGDSMN1; SMN2
SCHEMBL11266663 0.81 MAPT (0.44) LMNANPSR1CYP3A4CYP2C9CYP2D6

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