SCHEMBL7004086

SCHEMBL7004086

Cc1c(SCc2ccccc2)ccnc1CSc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
MAPT P10636 3/20 0.48
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NFKB1 P19838 1/20 0.47
HTT P42858 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.40
HDAC1 Q13547 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
METAP1 P53582 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL7011260 0.82 NPSR1 (0.40) POLBMAPTALDH1A1LMNASLC1A2
Hydrochloric Acid SCHEMBL7005188 0.81 MAPT (0.36) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL400161 0.81 POLB (0.70) POLBMAPTNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7007204 0.79 HSD17B10 (0.44) POLBMAPTNPC1RAB9ASMN1; SMN2
Bromide SCHEMBL27289520 0.79 POLB (0.68) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9054906 0.78 MAPT (0.37) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL27141812 0.76 HSD17B10 (0.50) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7009778 0.76 MAPK1 (0.43) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL19403521 0.75 RAB9A (0.67) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9275547 0.74 RAB9A (0.66) MAPTNPC1RAB9ASMN1; SMN2MEN1

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
EP-0772593-B1 THIOPYRIDYL COMPOUNDS FOR CONTROLLING HELICOBACTER BACTERIA ALTANA PHARMA AG (DE) 2003-05-02 EP disclosed
US-6162809-A Pyridylthio compounds for controlling helicobacter bacteria BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-12-19 US disclosed