SCHEMBL9434280

SCHEMBL9434280

C#CCOC(=O)C1=C(C)NC(C)=CC1c1ccc(-c2cccc([N+](=O)[O-])c2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1D Q01668 12/20 0.48
ACHE P22303 1/20 0.44
CACNA1C Q13936 12/20 0.44
CACNA1F O60840 11/20 0.44
CACNA1S Q13698 11/20 0.44
ADORA3 P0DMS8 1/20 0.44
MAPT P10636 4/20 0.42
HIF1A Q16665 3/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL9433876 0.91 CACNA1D (0.58) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL9434418 0.90 CACNA1D (0.47) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL9434568 0.88 CACNA1D (0.49) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL9434129 0.88 MEN1 (0.53) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL9434363 0.87 MAPT (0.52) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL9433962 0.87 CACNA1D (0.49) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL9434617 0.87 CACNA1D (0.48) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL9434574 0.87 CACNA1D (0.48) CACNA1DACHECACNA1CCACNA1FCACNA1S
SCHEMBL9434420 0.86 CACNA1D (0.47) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL9434032 0.85 CACNA1D (0.51) CACNA1DCACNA1CCACNA1FCACNA1SADORA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US disclosed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP disclosed