SCHEMBL7983932

SCHEMBL7983932

CCn1nc(C)cc1C(=O)NCCOc1cccc(Cn2ncccc2=O)c1C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 7/20 0.42
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
FGFR1 P11362 2/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
KDR P35968 3/20 0.36
IDO1 P14902 1/20 0.36
POLB P06746 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL7997825 0.84 STING1 (0.47) STING1L3MBTL1FGFR1KDRHDAC6
SCHEMBL7984304 0.84 STING1 (0.49) STING1L3MBTL1FGFR1KDRHDAC6
SCHEMBL7995372 0.83 STING1 (0.42) STING1L3MBTL1MEN1KMT2AFGFR1
SCHEMBL7994269 0.83 STING1 (0.41) STING1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL7983833 0.80 MEN1 (0.41) STING1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL7984211 0.80 STING1 (0.43) STING1L3MBTL1FGFR1KDR
SCHEMBL7983874 0.80 STING1 (0.43) STING1L3MBTL1KDM4EIDO1
SCHEMBL7998407 0.80 STING1 (0.41) STING1L3MBTL1FGFR1HCRTR1HCRTR2
SCHEMBL7983832 0.79 STING1 (0.40) STING1L3MBTL1MEN1KMT2AFGFR1
SCHEMBL7995743 0.79 STING1 (0.41) STING1L3MBTL1MEN1KMT2AFGFR1

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 claimed