SCHEMBL7309769

SCHEMBL7309769

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CACNA1F O60840 5/20 0.42
CACNA1D Q01668 5/20 0.42
CACNA1S Q13698 5/20 0.42
CACNA1C Q13936 5/20 0.42
ADORA3 P0DMS8 2/20 0.42
MYB P10242 1/20 0.42
PDE1C Q14123 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
KMT2A Q03164 3/20 0.40
HIF1A Q16665 3/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL11002165 0.89 PDE1C (0.45) MAPTALDH1A1CACNA1FCACNA1DCACNA1S
SCHEMBL7317021 0.86 CACNA1F (0.50) MAPTALDH1A1CACNA1FCACNA1DCACNA1S
SCHEMBL7308643 0.85 MAPT (0.46) MAPTALDH1A1CACNA1FCACNA1DCACNA1S
SCHEMBL7315290 0.85 PDE1C (0.50) MAPTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7316659 0.83 MAPT (0.60) MAPTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7319662 0.83 CACNA1F (0.41) MAPTALDH1A1CACNA1FCACNA1DCACNA1S
SCHEMBL7310799 0.82 CACNA1F (0.54) MAPTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7319371 0.80 ALDH1A1 (0.44) MAPTALDH1A1CACNA1FCACNA1DCACNA1S
SCHEMBL7315597 0.78 HIF1A (0.51) MAPTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7318053 0.78 CACNA1F (0.59) MAPTCACNA1FCACNA1DCACNA1SCACNA1C

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