SCHEMBL7983679

SCHEMBL7983679

CCn1nc(C)cc1C(=O)NCCOc1cccc(Cn2ccnc2SCC(=O)N2CCOCC2)c1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
RGS12 O14924 2/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
STING1 Q86WV6 3/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.37
PABPC1 P11940 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7994572 0.88 NTRK1 (0.40) HPGDLMNASMN1; SMN2STING1TP53
SCHEMBL7994841 0.87 LMNA (0.40) HPGDLMNASMN1; SMN2STING1TP53
SCHEMBL7983833 0.83 MEN1 (0.41) SMN1; SMN2STING1ALDH1A1L3MBTL1KDM4E
SCHEMBL7998166 0.79 STING1 (0.38) SMN1; SMN2STING1L3MBTL1KDM4EMEN1
SCHEMBL7984211 0.79 STING1 (0.43) STING1L3MBTL1
SCHEMBL7997825 0.75 STING1 (0.47) STING1MAPTALDH1A1L3MBTL1
SCHEMBL7984304 0.74 STING1 (0.49) STING1MAPTNPC1RAB9AALDH1A1
SCHEMBL7983874 0.74 STING1 (0.43) LMNASMN1; SMN2STING1MAPTNPC1
SCHEMBL7995372 0.74 STING1 (0.42) STING1L3MBTL1MEN1KMT2A
SCHEMBL7983932 0.74 STING1 (0.42) STING1POLBL3MBTL1KDM4EMEN1

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