SCHEMBL8409764

SCHEMBL8409764

[CH2]C(S)c1nc2ccccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
MAPT P10636 3/20 0.46
PSMB8 P28062 1/20 0.43
TP53 P04637 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PKM P14618 2/20 0.41
HPGD P15428 2/20 0.41
HCRTR1 O43613 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL28409963 0.86 NPC1 (0.50) NPC1RAB9AMAPTPSMB8TP53
SCHEMBL10902610 0.81 MAPT (0.46) NPC1RAB9AMAPTPSMB8TP53
SCHEMBL23342452 0.81 MAPT (0.46) NPC1RAB9AMAPTPSMB8TP53
SCHEMBL28356800 0.76 NPC1 (0.48) NPC1RAB9AMAPTPSMB8TP53
SCHEMBL2147325 0.76 MAPT (0.48) NPC1RAB9AMAPTPSMB8TP53
SCHEMBL86097 0.76 MAPT (0.48) NPC1RAB9AMAPTPSMB8TP53
SCHEMBL14600587 0.76 MAPT (0.44) NPC1RAB9AMAPTPSMB8TP53
SCHEMBL12915263 0.74 MAPT (0.47) NPC1RAB9AMAPTPSMB8TP53
SCHEMBL8069919 0.73 MAPT (0.46) NPC1RAB9AMAPTPSMB8TP53
SCHEMBL12396620 0.73 MAPT (0.46) NPC1RAB9AMAPTPSMB8TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859030-A Substituted arylalkylthioalkylthiopyridines for use in the control of helicobacter bacteria BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-01-12 US disclosed
EP-0764161-A1 SUBSTITUTED ARYLALKYLTHIOALKYLTHIOPYRIDINES FOR USE IN THE CONTROL OF HELICOBACTER BACTERIA Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1997-03-26 EP disclosed
WO-1995034554-A1 SUBSTITUTED ARYLALKYLTHIOALKYLTHIOPYRIDINES FOR USE IN THE CONTROL OF HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1995-12-21 WO disclosed