SCHEMBL11267322

SCHEMBL11267322

CCC(=O)C(c1cccc([N+](=O)[O-])c1)C(C(=O)COC(C)=O)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 5/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 3/20 0.40
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL11257484 0.89 ALDH1A1 (0.45) SMN1; SMN2LMNAHTTL3MBTL1ALDH1A1
SCHEMBL11264404 0.86 ALDH1A1 (0.45) SMN1; SMN2LMNAHTTL3MBTL1ALDH1A1
SCHEMBL11264969 0.81 ALDH1A1 (0.48) SMN1; SMN2LMNAHTTL3MBTL1ALDH1A1
SCHEMBL11253650 0.80 CACNA1F (0.45) SMN1; SMN2LMNAHTTL3MBTL1ALDH1A1
SCHEMBL11270945 0.80 LMNA (0.48) LMNAHTTL3MBTL1ALDH1A1CYP3A4
SCHEMBL11269214 0.78 LMNA (0.43) LMNAHTTL3MBTL1ALDH1A1CYP3A4
SCHEMBL11266663 0.78 MAPT (0.44) SMN1; SMN2LMNAHTTL3MBTL1ALDH1A1
SCHEMBL13916496 0.77 CYP2C19 (0.52) SMN1; SMN2LMNAHTTL3MBTL1ALDH1A1
SCHEMBL11255332 0.76 L3MBTL1 (0.42) SMN1; SMN2LMNAHTTL3MBTL1ALDH1A1
SCHEMBL11266095 0.75 LMNA (0.40) SMN1; SMN2LMNAHTTL3MBTL1ALDH1A1

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