SCHEMBL9264367

SCHEMBL9264367

CC1=C(C(=O)O)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OCCC#N)=C(C)N1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 9/20 0.71
CACNA1F O60840 8/20 0.71
CACNA1D Q01668 8/20 0.71
CACNA1S Q13698 8/20 0.71
CACNA1B Q00975 2/20 0.69
ADORA3 P0DMS8 2/20 0.69
PDE1C Q14123 1/20 0.66
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
CYP1A2 P05177 4/20 0.65
CYP3A4 P08684 4/20 0.65
CYP2C9 P11712 4/20 0.65
CYP2C19 P33261 4/20 0.65
LMNA P02545 3/20 0.65
MAPT P10636 3/20 0.65
CYP2D6 P10635 2/20 0.65
TSHR P16473 2/20 0.65
NFKB1 P19838 2/20 0.65
THPO P40225 2/20 0.65
HIF1A Q16665 3/20 0.64

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
SCHEMBL8301606 1.00 CACNA1C (0.71) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1B
SCHEMBL8298083 1.00 CACNA1C (0.71) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1B
SCHEMBL8298086 1.00 CACNA1C (0.71) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1B
SCHEMBL7481538 0.96 CACNA1F (0.77) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL10987979 0.94 CACNA1F (0.72) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1B
SCHEMBL8523670 0.93 CACNA1F (0.83) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL10747346 0.92 CACNA1F (0.71) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL9154274 0.92 MEN1 (0.76) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1B
SCHEMBL9583587 0.92 HIF1A (0.76) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL29684193 0.92 MEN1 (0.76) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1B

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-5395941-A Optically active 1,4-hydropyridine compounds MERCIAN CORPORATION (JP) 1995-03-07 US disclosed