SCHEMBL7812062

SCHEMBL7812062

[CH2]CCCSc1nccs1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.58
FBP1 P09467 14/20 0.48
PDK1 Q15118 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.39
FDPS P14324 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
NOS1 P29475 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HSD17B3 P37058 1/20 0.34
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 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
SCHEMBL7805155 0.88
SCHEMBL11106282 0.81 HTR7 (0.58) HTR7FBP1PDK1SMN1; SMN2FDPS
SCHEMBL422538 0.81 HTR7 (0.62) HTR7FBP1PDK1SMN1; SMN2FDPS
SCHEMBL5248427 0.79
Bromide SCHEMBL11311287 0.79 HTR7 (0.56) HTR7FBP1PDK1SMN1; SMN2FDPS
SCHEMBL8412672 0.79 HTR7 (0.56) HTR7FBP1PDK1SMN1; SMN2FDPS
SCHEMBL28029458 0.78 HTR7 (0.59) HTR7FBP1PDK1SMN1; SMN2ALDH1A1
SCHEMBL6605325 0.76
SCHEMBL1540962 0.76
SCHEMBL12199947 0.76

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4619783-A BACTERICIDES PFIZER INC. (US) 1986-10-28 US claimed
EP-0131374-A1 Process and intermediates for the preparation of penem derivatives PFIZER INC. (US) 1985-01-16 EP claimed
EP-0706523-B1 SUBSTITUTED ARYLTHIOALKYLTHIOPYRIDINES BYK GULDEN LOMBERG CHEM FAB (DE) 2001-01-24 EP disclosed
US-5773451-A BACTERICIDES FOR HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-06-30 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
EP-0706523-A1 SUBSTITUTED ARYLTHIOALKYLTHIOPYRIDINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1996-04-17 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
WO-1995001351-A1 SUBSTITUTED ARYLTHIOALKYLTHIOPYRIDINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1995-01-12 WO disclosed