SCHEMBL8412939

SCHEMBL8412939

CSC(C)[CH]c1ccc(Cl)s1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
G6PC1 P35575 1/20 0.33
PPARA Q07869 1/20 0.33
PSMD14 O00487 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL8413220 0.76 PTGS1 (0.35) PTGS1PTGS2MEN1KMT2AG6PC1
SCHEMBL1987243 0.69
SCHEMBL41212 0.69
SCHEMBL8411632 0.68 PTGS1 (0.38) PTGS1PTGS2MEN1KMT2AG6PC1
SCHEMBL8412688 0.68 SMN1; SMN2 (0.42) PTGS1PTGS2MEN1KMT2ANPC1
SCHEMBL21891485 0.67 GABBR2 (0.36) PPARASMN1; SMN2
SCHEMBL8284900 0.66
SCHEMBL9592883 0.66
SCHEMBL13508330 0.65 PTGS1 (0.46) PTGS1PTGS2MEN1KMT2AG6PC1
Hydrochloric Acid SCHEMBL4068511 0.65 PTGS1 (0.36) PTGS1PTGS2MAOAMAOB

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