SCHEMBL7315290

SCHEMBL7315290

CC1=C(C(=O)O)C(c2cccc([N+](=O)[O-])c2)C(c2nc(CCl)no2)=C(C)N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 1/20 0.50
CACNA1B Q00975 1/20 0.49
CACNA1F O60840 9/20 0.49
CACNA1D Q01668 9/20 0.49
CACNA1S Q13698 9/20 0.49
CACNA1C Q13936 9/20 0.49
ADORA3 P0DMS8 1/20 0.49
MEN1 O00255 4/20 0.46
CYP1A2 P05177 4/20 0.46
CYP3A4 P08684 4/20 0.46
CYP2C9 P11712 4/20 0.46
CYP2C19 P33261 4/20 0.46
KMT2A Q03164 4/20 0.46
HIF1A Q16665 3/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 3/20 0.46
CYP2D6 P10635 2/20 0.46
TSHR P16473 2/20 0.46
NFKB1 P19838 2/20 0.46
THPO P40225 2/20 0.46

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
SCHEMBL7317021 0.94 CACNA1F (0.50) PDE1CCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7316659 0.91 MAPT (0.60) PDE1CCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7482705 0.88 CACNA1F (0.51) PDE1CCACNA1BCACNA1FCACNA1DCACNA1S
SCHEMBL10368666 0.86 CACNA1C (0.48) PDE1CCACNA1BCACNA1FCACNA1DCACNA1S
SCHEMBL10368670 0.86 CACNA1C (0.48) PDE1CCACNA1BCACNA1FCACNA1DCACNA1S
SCHEMBL7309659 0.86 CACNA1C (0.53) PDE1CCACNA1BCACNA1FCACNA1DCACNA1S
SCHEMBL10368228 0.86 ABCB1 (0.48) PDE1CCACNA1BCACNA1FCACNA1DCACNA1S
SCHEMBL7309682 0.86 CACNA1C (0.53) PDE1CCACNA1BCACNA1FCACNA1DCACNA1S
SCHEMBL10840034 0.86 PDE1C (0.49) PDE1CCACNA1BCACNA1FCACNA1DCACNA1S
SCHEMBL10368230 0.86 ABCB1 (0.48) PDE1CCACNA1BCACNA1FCACNA1DCACNA1S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0177965-B1 NOVEL OXA- AND THIADIAZOLYL DERIVATIVES AND THEIR USE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1990-03-21 EP disclosed
US-4705786-A Novel oxadiazolyl-1,4-dihydropyridines useful as antihypertensive agents SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1987-11-10 US disclosed
EP-0177965-A2 Novel oxa- and thiadiazolyl derivatives and their use SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1986-04-16 EP disclosed