SCHEMBL8411615

SCHEMBL8411615

[CH2]CCCSCc1csc(NC(=N)N)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HRH2 P25021 3/20 0.33
SLC22A2 O15244 2/20 0.33
CA12 O43570 2/20 0.33
SLC22A3 O75751 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
MAOA P21397 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
CA7 P43166 2/20 0.33
BLM P54132 2/20 0.33
PMP22 Q01453 2/20 0.33
POU5F1 Q01860 2/20 0.33
CA9 Q16790 2/20 0.33
SLC47A2 Q86VL8 2/20 0.33

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
SCHEMBL8411573 0.92 KMT2A (0.35) KMT2ASMN1; SMN2HRH2SLC22A2CA12
SCHEMBL11002732 0.88 AOC3 (0.37) KMT2ASMN1; SMN2HRH2SLC22A2CA12
Hydrochloric Acid SCHEMBL11259470 0.87 AOC3 (0.36) KMT2ASMN1; SMN2HRH2SLC22A2CA12
SCHEMBL8413116 0.86 KMT2A (0.37) KMT2ASMN1; SMN2AOC3MAPTMAOB
SCHEMBL8487525 0.85 AOC3 (0.39) KMT2ASMN1; SMN2HRH2SLC22A2CA12
Hydrochloric Acid SCHEMBL10934527 0.84 AOC3 (0.38) KMT2ASMN1; SMN2HRH2SLC22A2CA12
SCHEMBL10587291 0.84 HRH2 (0.39) KMT2ASMN1; SMN2HRH2SLC22A2CA12
Hydrochloric Acid SCHEMBL8481908 0.84 AOC3 (0.38) KMT2ASMN1; SMN2HRH2SLC22A2CA12
Hydrochloric Acid SCHEMBL10439042 0.83 HRH2 (0.39) KMT2ASMN1; SMN2HRH2SLC22A2CA12
Hydrochloric Acid SCHEMBL11236238 0.83 HRH2 (0.39) KMT2ASMN1; SMN2HRH2SLC22A2CA12

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