SCHEMBL7997632

SCHEMBL7997632

Cc1c(Cn2cnc3ccccc32)cccc1SCCOC(=O)Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.44
LMNA P02545 5/20 0.44
MAPT P10636 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 4/20 0.43
TSHR P16473 1/20 0.43
USP2 O75604 1/20 0.43
HTT P42858 3/20 0.39
TNF P01375 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL7997882 0.86 LMNA (0.43) SMN1; SMN2LMNAMAPTL3MBTL1NPSR1
SCHEMBL7997644 0.85 LMNA (0.44) SMN1; SMN2LMNAMAPTL3MBTL1NPSR1
SCHEMBL7997738 0.85 LMNA (0.41) SMN1; SMN2LMNAMAPTL3MBTL1NPSR1
SCHEMBL7997378 0.85 LMNA (0.41) SMN1; SMN2LMNAMAPTL3MBTL1NPSR1
SCHEMBL7983528 0.84 LMNA (0.44) SMN1; SMN2LMNAMAPTL3MBTL1NPSR1
SCHEMBL7983861 0.84 NPSR1 (0.51) SMN1; SMN2LMNAMAPTL3MBTL1NPSR1
SCHEMBL7997629 0.84 LMNA (0.47) SMN1; SMN2LMNAMAPTL3MBTL1NPSR1
SCHEMBL7995873 0.83 LMNA (0.45) SMN1; SMN2LMNAMAPTL3MBTL1NPSR1
SCHEMBL7995815 0.83 CYP11B1 (0.45) SMN1; SMN2LMNAMAPTL3MBTL1NPSR1
SCHEMBL7983888 0.82 LMNA (0.43) SMN1; SMN2LMNAMAPTL3MBTL1NPSR1

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