SCHEMBL7983528

SCHEMBL7983528

Cc1c(Cn2nnc3ccccc32)cccc1SCCOC(=O)Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
ALDH1A1 P00352 4/20 0.44
TSHR P16473 3/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 1/20 0.42
KMT2A Q03164 3/20 0.42
KCNMA1 Q12791 1/20 0.42
ATM Q13315 1/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.40

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) LMNAGAARAB9ANPC1ALDH1A1
SCHEMBL7997632 0.84 SMN1; SMN2 (0.44) LMNAGAAALDH1A1TSHRSMN1; SMN2
SCHEMBL7983870 0.81 GSK3B (0.48) LMNAGAAALDH1A1TSHRSMN1; SMN2
SCHEMBL7994549 0.80 LMNA (0.45) LMNAGAARAB9ANPC1ALDH1A1
SCHEMBL7997710 0.80 LMNA (0.48) LMNAGAARAB9ANPC1ALDH1A1
SCHEMBL8001444 0.80 LMNA (0.51) LMNAGAARAB9ANPC1ALDH1A1
SCHEMBL7963994 0.79 LMNA (0.50) LMNAGAARAB9ANPC1ALDH1A1
SCHEMBL7994274 0.79 LMNA (0.46) LMNAGAAALDH1A1TSHRSMN1; SMN2
SCHEMBL7995873 0.79 LMNA (0.45) LMNAGAARAB9ANPC1ALDH1A1
SCHEMBL7994118 0.78 ALDH1A1 (0.46) LMNAGAAALDH1A1TSHRSMN1; SMN2

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