SCHEMBL11260770

SCHEMBL11260770

CCC1=NNC(C)=C(C(=O)OCc2ccccc2)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 1/20 0.74
CACNA1C Q13936 11/20 0.59
CACNA1F O60840 10/20 0.59
CACNA1D Q01668 10/20 0.59
CACNA1S Q13698 10/20 0.59
ADORA3 P0DMS8 2/20 0.59
ATM Q13315 1/20 0.59
MAPT P10636 4/20 0.56
HIF1A Q16665 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CYP1A2 P05177 3/20 0.56
CYP3A4 P08684 3/20 0.56
CYP2C9 P11712 3/20 0.56
CYP2C19 P33261 3/20 0.56
LMNA P02545 2/20 0.56
CYP2D6 P10635 2/20 0.56
POLB P06746 1/20 0.56
MAPK1 P28482 1/20 0.56
GPR55 Q9Y2T6 1/20 0.56

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
SCHEMBL11258636 0.90 CACNA1C (0.72) PDE1CCACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL11268103 0.87 CACNA1C (0.67) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL11393485 0.86 PDE1C (0.70) PDE1CCACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL11259313 0.86 CACNA1C (0.61) PDE1CCACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL11252846 0.85 CACNA1F (0.56) PDE1CCACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL11257924 0.85 CACNA1F (0.59) PDE1CCACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL11258513 0.85 CACNA1F (0.75) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL11271363 0.84 CACNA1F (0.63) PDE1CCACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL11258726 0.83 MEN1 (0.64) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL11263102 0.83 NR3C2 (0.66) PDE1CCACNA1CCACNA1FCACNA1DCACNA1S

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