SCHEMBL8413019

SCHEMBL8413019

[CH2]CCCSc1nc2ccccc2o1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.67
ADRA2C P18825 1/20 0.67
ALDH1A1 P00352 6/20 0.59
HPGD P15428 4/20 0.59
MAPK1 P28482 3/20 0.59
TSHR P16473 2/20 0.59
HSD17B10 Q99714 2/20 0.59
GAA P10253 1/20 0.59
TDP1 Q9NUW8 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
RAB9A P51151 2/20 0.53
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
PKM P14618 1/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL8409996 0.90 DDAH1 (0.71) DDAH1ADRA2CALDH1A1HPGDMAPK1
SCHEMBL29751905 0.84 DDAH1 (0.67) DDAH1ADRA2CALDH1A1HPGDMAPK1
SCHEMBL10731286 0.84 DDAH1 (0.82) DDAH1ADRA2CALDH1A1HPGDMAPK1
SCHEMBL3028888 0.84 DDAH1 (0.67) DDAH1ADRA2CALDH1A1HPGDMAPK1
SCHEMBL423424 0.84 DDAH1 (0.67) DDAH1ADRA2CALDH1A1HPGDMAPK1
SCHEMBL9534339 0.84 DDAH1 (0.67) DDAH1ADRA2CALDH1A1HPGDMAPK1
SCHEMBL5623032 0.83 DDAH1 (0.65) DDAH1ADRA2CALDH1A1HPGDMAPK1
SCHEMBL11345934 0.83 DDAH1 (0.65) DDAH1ADRA2CALDH1A1HPGDMAPK1
SCHEMBL2149775 0.83 DDAH1 (0.65) DDAH1ADRA2CALDH1A1HPGDMAPK1
SCHEMBL5989120 0.81 DDAH1 (0.77) DDAH1ADRA2CALDH1A1HPGDMAPK1

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