SCHEMBL11257484

SCHEMBL11257484

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
LMNA P02545 3/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTT P42858 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 3/20 0.43
ALOX12 P18054 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.41
GLO1 Q04760 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
SCHEMBL11264404 0.91 ALDH1A1 (0.45) ALDH1A1LMNACYP3A4CYP2D6CYP2C9
SCHEMBL11270945 0.91 LMNA (0.48) ALDH1A1LMNACYP3A4CYP2D6CYP2C9
SCHEMBL11264969 0.90 ALDH1A1 (0.48) ALDH1A1LMNAHTTL3MBTL1SMN1; SMN2
SCHEMBL11269214 0.89 LMNA (0.43) ALDH1A1LMNACYP3A4CYP2D6CYP2C9
SCHEMBL11267322 0.89 SMN1; SMN2 (0.43) ALDH1A1LMNACYP3A4CYP2D6CYP2C9
SCHEMBL11266663 0.88 MAPT (0.44) ALDH1A1LMNACYP3A4CYP2D6CYP2C9
SCHEMBL11253650 0.88 CACNA1F (0.45) ALDH1A1LMNACYP3A4CYP2D6CYP2C9
SCHEMBL11266095 0.85 LMNA (0.40) ALDH1A1LMNACYP3A4CYP2D6CYP2C9
SCHEMBL11254374 0.85 HTT (0.47) ALDH1A1LMNACYP2D6CYP2C9CYP2C19
SCHEMBL11255332 0.85 L3MBTL1 (0.42) ALDH1A1LMNAHTTL3MBTL1SMN1; SMN2

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