SCHEMBL7994286

SCHEMBL7994286

Cc1c(Cn2ccnc2[S+](C)[O-])cccc1SCCOC(=O)Nc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 9/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
HTT P42858 1/20 0.37
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL7995873 0.88 LMNA (0.45) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7983888 0.86 LMNA (0.43) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7983744 0.85 LMNA (0.43) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7997799 0.85 LMNA (0.41) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7983644 0.84 LMNA (0.42) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7996728 0.84 LMNA (0.42) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7997919 0.84 SMN1; SMN2 (0.46) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7997644 0.79 LMNA (0.44) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7997632 0.79 SMN1; SMN2 (0.44) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7994274 0.79 LMNA (0.46) 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 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