SCHEMBL10367338

SCHEMBL10367338

COC(=O)OC1=C(C)NC(C)=C(c2nc(CN3CCCCC3)no2)C1c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.34
CACNA1F O60840 2/20 0.34
CACNA1D Q01668 2/20 0.34
CACNA1S Q13698 2/20 0.34
CACNA1C Q13936 2/20 0.34
KCNH2 Q12809 2/20 0.34
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.34
ABCB1 P08183 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
MCHR1 Q99705 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33

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
SCHEMBL10367252 0.88 CACNA1F (0.38) CACNA1FCACNA1DCACNA1SCACNA1CKCNH2
SCHEMBL10368511 0.88 ABCB1 (0.46) ADORA3CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7319281 0.87 ADORA3 (0.47) ADORA3CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL10367146 0.85 MEN1 (0.37) ADORA3CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7264444 0.82 KMT2A (0.42) ADORA3CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7265549 0.76 CACNA1F (0.44) CACNA1FCACNA1DCACNA1SCACNA1CKDM4E
SCHEMBL10368764 0.76 KCNH2 (0.40) ADORA3CACNA1CKCNH2KDM4EMEN1
SCHEMBL7315909 0.75 ABCB1 (0.57) ADORA3CACNA1CKCNH2SMN1; SMN2MEN1
SCHEMBL7313818 0.75 ADRA2A (0.45) CACNA1FCACNA1DCACNA1SCACNA1CKCNH2
SCHEMBL7271902 0.74 PDE1C (0.48) ADORA3CACNA1FCACNA1DCACNA1SCACNA1C

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
EP-0177965-B1 NOVEL OXA- AND THIADIAZOLYL DERIVATIVES AND THEIR USE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1990-03-21 EP claimed