SCHEMBL7983874

SCHEMBL7983874

CCn1nc(C)cc1C(=O)NCCOc1cccc(Cn2cnc3ccccc32)c1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 7/20 0.43
PPARG P37231 4/20 0.42
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
IDO1 P14902 3/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
STAT3 P40763 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TNF P01375 1/20 0.38

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
SCHEMBL7998424 0.85 STING1 (0.45) STING1PPARGMAPTSMN1; SMN2LMNA
SCHEMBL7997825 0.83 STING1 (0.47) STING1MAPTALDH1A1L3MBTL1
SCHEMBL7984304 0.82 STING1 (0.49) STING1MAPTALDH1A1L3MBTL1NPC1
SCHEMBL7995372 0.81 STING1 (0.42) STING1L3MBTL1
SCHEMBL7984211 0.80 STING1 (0.43) STING1L3MBTL1
SCHEMBL7998407 0.80 STING1 (0.41) STING1MAPTL3MBTL1
SCHEMBL7983932 0.80 STING1 (0.42) STING1KDM4EIDO1L3MBTL1
SCHEMBL7995743 0.79 STING1 (0.41) STING1L3MBTL1
SCHEMBL7994572 0.79 NTRK1 (0.40) STING1SMN1; SMN2LMNAHTTL3MBTL1
SCHEMBL7994841 0.79 LMNA (0.40) STING1SMN1; SMN2LMNAHTTNPC1

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