SCHEMBL7994549

SCHEMBL7994549

Cc1c(Cn2ncnn2)cccc1SCCOC(=O)Nc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.45
TSHR P16473 2/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
MAPT P10636 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 3/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RECQL P46063 1/20 0.36
TP53 P04637 1/20 0.36
MGLL Q99685 1/20 0.35
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL7997629 0.85 LMNA (0.47) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7997710 0.83 LMNA (0.48) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL8001444 0.81 LMNA (0.51) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7983528 0.80 LMNA (0.44) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7983888 0.80 LMNA (0.43) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7963994 0.80 LMNA (0.50) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7995873 0.79 LMNA (0.45) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7994274 0.79 LMNA (0.46) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7994118 0.79 ALDH1A1 (0.46) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7997882 0.78 LMNA (0.43) LMNATSHRALDH1A1SMN1; SMN2MAPT

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