SCHEMBL29684128

SCHEMBL29684128

COCCOC(=O)c1c(C)nc(C)c(C(=O)O)c1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
LMNA P02545 4/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 2/20 0.44
RAB9A P51151 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 1/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
ABCC1 P33527 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
POLB P06746 1/20 0.37

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
SCHEMBL6949727 0.87 KMT2A (0.49) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL29383650 0.87 KMT2A (0.49) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL2636596 0.87 KMT2A (0.49) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL6956134 0.85 TDP1 (0.53) ALDH1A1LMNAMAPTGAAMEN1
SCHEMBL6956189 0.85 TDP1 (0.53) ALDH1A1LMNAMAPTGAAMEN1
SCHEMBL10745473 0.84 ALDH1A1 (0.59) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL10748158 0.84 ALDH1A1 (0.43) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL10746422 0.83 ALDH1A1 (0.52) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL744307 0.81 ALDH1A1 (0.48) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL29351076 0.81 ALDH1A1 (0.48) ALDH1A1LMNAMAPTSMN1; SMN2GAA

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
WO-2022114187-A1 COMPOUND HAVING INHIBITORY ACTION AGAINST EXCESSIVE MITOCHONDRIAL DIVISIONS 国立大学法人九州大学 2022-06-02 WO disclosed