SCHEMBL7995873

SCHEMBL7995873

Cc1c(Cn2ccnc2C)cccc1SCCOC(=O)Nc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.45
TSHR P16473 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL7983888 0.91 LMNA (0.43) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7983744 0.90 LMNA (0.43) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7983644 0.89 LMNA (0.42) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7996728 0.89 LMNA (0.42) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7997919 0.89 SMN1; SMN2 (0.46) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7997799 0.88 LMNA (0.41) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7994286 0.88 LMNA (0.41) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7997644 0.83 LMNA (0.44) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7997632 0.83 SMN1; SMN2 (0.44) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7994274 0.83 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 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