SCHEMBL7994572

SCHEMBL7994572

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.40
POLB P06746 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
STING1 Q86WV6 1/20 0.39
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 4/20 0.38
RAB9A P51151 5/20 0.37
NPC1 O15118 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
THRB P10828 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
SCHEMBL7994841 0.93 LMNA (0.40) NTRK1POLBHPGDHTTSTING1
SCHEMBL7983679 0.88 HPGD (0.40) POLBHPGDSTING1LMNASMN1; SMN2
SCHEMBL7984211 0.84 STING1 (0.43) STING1L3MBTL1
SCHEMBL7997825 0.80 STING1 (0.47) STING1L3MBTL1
SCHEMBL7984304 0.80 STING1 (0.49) STING1RAB9ANPC1L3MBTL1
SCHEMBL7983874 0.79 STING1 (0.43) HTTSTING1LMNASMN1; SMN2RAB9A
SCHEMBL7995372 0.79 STING1 (0.42) STING1L3MBTL1KMT2A
SCHEMBL7983932 0.79 STING1 (0.42) POLBSTING1L3MBTL1KMT2A
SCHEMBL7998407 0.78 STING1 (0.41) STING1L3MBTL1
SCHEMBL7995743 0.75 STING1 (0.41) STING1L3MBTL1KMT2A

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