SCHEMBL11264969

SCHEMBL11264969

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 2/20 0.45
ALOX12 P18054 2/20 0.45
MAPT P10636 2/20 0.45
ACP3 P15309 1/20 0.45
LMNA P02545 3/20 0.44
TSHR P16473 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
GLO1 Q04760 1/20 0.43
TP53 P04637 1/20 0.42
GRM8 O00222 1/20 0.42
GRM4 Q14833 1/20 0.42

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 0.90 ALDH1A1 (0.45) ALDH1A1L3MBTL1MEN1KMT2AHPGD
SCHEMBL11270945 0.90 LMNA (0.48) ALDH1A1L3MBTL1MEN1KMT2AHPGD
SCHEMBL11255332 0.89 L3MBTL1 (0.42) ALDH1A1L3MBTL1MEN1KMT2AHPGD
SCHEMBL11253650 0.88 CACNA1F (0.45) ALDH1A1L3MBTL1MEN1KMT2AHPGD
SCHEMBL11266663 0.88 MAPT (0.44) ALDH1A1L3MBTL1MEN1KMT2AHPGD
SCHEMBL11269214 0.86 LMNA (0.43) ALDH1A1L3MBTL1MEN1KMT2AHPGD
Bicarbonate SCHEMBL11340098 0.85 L3MBTL1 (0.47) ALDH1A1L3MBTL1MEN1KMT2AHPGD
SCHEMBL11266095 0.85 LMNA (0.40) ALDH1A1L3MBTL1MEN1KMT2AHPGD
SCHEMBL11254374 0.85 HTT (0.47) ALDH1A1L3MBTL1SMN1; SMN2HTTMAPT
SCHEMBL11257451 0.84 LMNA (0.40) ALDH1A1L3MBTL1MEN1KMT2AHPGD

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