SCHEMBL7998166

SCHEMBL7998166

CCn1nc(C)cc1C(=O)NCCOc1cccc(Cn2cnc(C(=O)N3CCOCC3)c2)c1C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 9/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3R2 O00459 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PIK3R5 Q8WYR1 1/20 0.33
PIK3R3 Q92569 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 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
SCHEMBL7983833 0.89 MEN1 (0.41) STING1L3MBTL1SMN1; SMN2KDM4EPIK3CD
SCHEMBL7998407 0.87 STING1 (0.41) STING1L3MBTL1
SCHEMBL7995743 0.86 STING1 (0.41) STING1L3MBTL1MEN1KMT2A
SCHEMBL7983679 0.79 HPGD (0.40) STING1L3MBTL1SMN1; SMN2KDM4EMEN1
SCHEMBL7997825 0.77 STING1 (0.47) STING1L3MBTL1NPSR1
SCHEMBL7984304 0.77 STING1 (0.49) STING1L3MBTL1NPSR1
SCHEMBL7995372 0.76 STING1 (0.42) STING1L3MBTL1MEN1KMT2A
SCHEMBL7983874 0.75 STING1 (0.43) STING1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL7983932 0.74 STING1 (0.42) STING1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL7994269 0.73 STING1 (0.41) STING1L3MBTL1KDM4EMEN1KMT2A

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
WO-2001034578-A1 COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY ASTRAZENECA AB (SE) 2001-05-17 WO disclosed