SCHEMBL7997882

SCHEMBL7997882

Cc1c(Cn2cnc(-c3ccccc3)c2-c2ccccc2)cccc1SCCOC(=O)Nc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.41
PTGS2 P35354 5/20 0.40
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL7997632 0.86 SMN1; SMN2 (0.44) LMNASMN1; SMN2NPSR1MAPTL3MBTL1
SCHEMBL7997644 0.84 LMNA (0.44) LMNASMN1; SMN2NPSR1MAPTL3MBTL1
SCHEMBL7983888 0.84 LMNA (0.43) LMNASMN1; SMN2NPSR1MAPTL3MBTL1
SCHEMBL7997629 0.82 LMNA (0.47) LMNASMN1; SMN2NPSR1MAPTL3MBTL1
SCHEMBL7995873 0.82 LMNA (0.45) LMNASMN1; SMN2NPSR1MAPTL3MBTL1
SCHEMBL7997738 0.80 LMNA (0.41) LMNASMN1; SMN2NPSR1MAPTL3MBTL1
SCHEMBL7997378 0.80 LMNA (0.41) LMNASMN1; SMN2NPSR1MAPTL3MBTL1
SCHEMBL7983744 0.80 LMNA (0.43) LMNASMN1; SMN2NPSR1MAPTL3MBTL1
SCHEMBL7995758 0.80 LMNA (0.43) LMNASMN1; SMN2NPSR1MAPTL3MBTL1
SCHEMBL7983644 0.79 LMNA (0.42) LMNASMN1; SMN2NPSR1MAPTL3MBTL1

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