SCHEMBL8412718

SCHEMBL8412718

[CH2]C(S)CCc1nc2ccccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UBE2T Q9NPD8 1/20 0.53
▸ ASIC3 Q9UHC3 1/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ HTT P42858 2/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ PDE10A Q9Y233 1/20 0.50
▸ RAB9A P51151 4/20 0.49
▸ HPGD P15428 3/20 0.49
▸ NPC1 O15118 3/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ HTR7 P34969 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL29113946 0.87 UBE2T (0.56) UBE2TASIC3SMN1; SMN2HTTALOX15
SCHEMBL8414136 0.83 UBE2T (0.56) UBE2TASIC3SMN1; SMN2HTTALOX15
SCHEMBL19372016 0.80 UBE2T (0.70) UBE2TASIC3SMN1; SMN2HTTALOX15
SCHEMBL22117314 0.80 HPGD (0.51) UBE2TASIC3SMN1; SMN2HTTALOX15
SCHEMBL14131194 0.80 UBE2T (0.56) UBE2TASIC3SMN1; SMN2HTTALOX15
SCHEMBL2904753 0.78 SMN1; SMN2 (0.51) UBE2TASIC3SMN1; SMN2HTTALOX15
SCHEMBL10576351 0.78 UBE2T (0.61) UBE2TASIC3SMN1; SMN2HTTALOX15
SCHEMBL8904885 0.78 UBE2T (0.61) UBE2TASIC3SMN1; SMN2HTTALOX15
SCHEMBL9641726 0.77 SMN1; SMN2 (0.70) UBE2TASIC3SMN1; SMN2HTTALOX15
SCHEMBL1730426 0.77 KDM4E (0.51) UBE2TASIC3SMN1; SMN2HTTALOX15

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
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