SCHEMBL7995372

SCHEMBL7995372

CCn1nc(C)cc1C(=O)NCCOc1cccc(Cn2cncn2)c1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 8/20 0.42
L3MBTL1 Q9Y468 2/20 0.38
CYP19A1 P11511 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FGFR1 P11362 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDR P35968 3/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
KLKB1 P03952 1/20 0.34

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) STING1L3MBTL1FGFR1HDAC6KDR
SCHEMBL7984304 0.84 STING1 (0.49) STING1L3MBTL1FGFR1HDAC6KDR
SCHEMBL7983932 0.83 STING1 (0.42) STING1L3MBTL1MEN1KMT2AFGFR1
SCHEMBL7998407 0.81 STING1 (0.41) STING1L3MBTL1FGFR1KDRHCRTR1
SCHEMBL7983874 0.81 STING1 (0.43) STING1L3MBTL1
SCHEMBL7995743 0.81 STING1 (0.41) STING1L3MBTL1MEN1KMT2AFGFR1
SCHEMBL7994269 0.79 STING1 (0.41) STING1L3MBTL1MEN1KMT2AFGFR1
SCHEMBL7994572 0.79 NTRK1 (0.40) STING1L3MBTL1KMT2A
SCHEMBL7983833 0.78 MEN1 (0.41) STING1L3MBTL1MEN1KMT2A
SCHEMBL7984211 0.78 STING1 (0.43) STING1L3MBTL1FGFR1KDR

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