SCHEMBL29684142

SCHEMBL29684142

COCCOC(=O)C1=C(C)NC(C)=C(C(=O)Nc2cccc(OC)c2)C1c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 4/20 0.56
CACNA1F O60840 3/20 0.56
CACNA1D Q01668 3/20 0.56
CACNA1S Q13698 3/20 0.56
ADORA3 P0DMS8 2/20 0.55
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
LMNA P02545 3/20 0.52
MAPT P10636 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2D6 P10635 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
THPO P40225 1/20 0.52
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL29684265 0.89 LMNA (0.59) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL29684283 0.84 ADORA3 (0.50) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL7266791 0.83 CACNA1C (0.65) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL10830852 0.82 ADORA3 (0.72) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL26078427 0.82 ADORA3 (0.48) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL26078420 0.82 ADORA3 (0.48) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL29684188 0.82 ADORA3 (0.48) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL7815344 0.81 ADORA3 (0.74) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL23686116 0.78 KMT2A (0.70) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL11862107 0.78 ADORA3 (0.66) CACNA1CCACNA1FCACNA1DCACNA1SADORA3

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