SCHEMBL8411528

SCHEMBL8411528

[CH2]CSCCc1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.52
HTT P42858 2/20 0.51
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 5/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
LMNA P02545 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
ALOX15 P16050 1/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.45
CYP1A2 P05177 1/20 0.44

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
SCHEMBL8413196 0.87 HTT (0.52) HRH1HTTMAPK1ALDH1A1NPC1
SCHEMBL29595035 0.86 HTT (0.58) HRH1HTTMAPK1ALDH1A1NPC1
SCHEMBL1825837 0.86 HTT (0.58) HRH1HTTMAPK1ALDH1A1NPC1
SCHEMBL8410010 0.84 HTT (0.50) HRH1HTTMAPK1ALDH1A1NPC1
SCHEMBL31058797 0.82 HTT (0.55) HRH1HTTMAPK1ALDH1A1NPC1
SCHEMBL31058801 0.82 HTT (0.55) HRH1HTTMAPK1ALDH1A1NPC1
SCHEMBL21427814 0.82 HTT (0.55) HRH1HTTMAPK1ALDH1A1NPC1
SCHEMBL31058794 0.82 HTT (0.55) HRH1HTTMAPK1ALDH1A1NPC1
SCHEMBL8280335 0.81 HRH1 (0.52) HRH1HTTMAPK1ALDH1A1NPC1
SCHEMBL21408471 0.81 HRH1 (0.55) HRH1HTTMAPK1ALDH1A1NPC1

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 4 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-1996000224-A1 4-S- AND N-SUBSTITUTED 6-ALKYLPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-01-04 WO 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