SCHEMBL8409986

SCHEMBL8409986

CN(C)Cc1ccc(CS)o1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.61
BCHE P06276 10/20 0.57
PRMT6 Q96LA8 1/20 0.50
HRH2 P25021 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
Oxalic Acid SCHEMBL10370396 0.89 ACHE (0.50) ACHEBCHEPRMT6HRH2
SCHEMBL2458150 0.88 ACHE (0.74) ACHEBCHEPRMT6CYP2A6CYP2C19
SCHEMBL9838312 0.80
SCHEMBL12655116 0.79 ACHE (0.63) ACHEBCHEPRMT6CYP2A6CYP2C19
SCHEMBL8610492 0.77 ACHE (0.61) ACHEBCHEPRMT6CYP2A6CYP2C19
SCHEMBL8011063 0.77 ACHE (0.61) ACHEBCHEPRMT6CYP2A6CYP2C19
SCHEMBL8007208 0.77 ACHE (0.55) ACHEBCHEPRMT6CYP2A6CYP2C19
SCHEMBL9839086 0.77 ACHE (0.61) ACHEBCHEPRMT6CYP2A6CYP2C19
SCHEMBL4999409 0.77 ACHE (0.61) ACHEBCHEPRMT6CYP2A6CYP2C19
SCHEMBL3453519 0.77 ACHE (0.61) ACHEBCHEPRMT6CYP2A6CYP2C19

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0117345-B1 AMINOPYRIMIDINONES AS HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-02-28 EP claimed
EP-0117345-A2 Aminopyrimidinones as histamine H2-antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-09-05 EP claimed
EP-0040696-A2 Aminothiadiazoles as gastric secretion inhibitors MERCK & CO. INC. (US) 1981-12-02 EP claimed
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
US-5750714-A Process for the manufacture of related intermediates including cistofur BRANTFORD CHEMICALS INC. (CA) 1998-05-12 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
EP-0180298-B1 PYRIMIDINE COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-09-25 EP disclosed
EP-0150073-B1 3,4-DISUBSTITUTED-1,2,5-OXADIAZOLES HAVING HISTAMINE H2-RECEPTOR ANTAGONIST ACTIVITY Bristol-Myers Squibb Company (US) 1990-09-26 EP disclosed
EP-0117345-B1 AMINOPYRIMIDINONES AS HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-02-28 EP disclosed
EP-0134096-B1 AMINOPYRIMIDINONE DERIVATIVES AS HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-02-01 EP disclosed
WO-1984004304-A1 AMINOIMIDAZOLONE DERIVATIVES AS HISTAMINE H2-ANTAGONISTS SMITH KLINE FRENCH LAB (GB) 1984-11-08 WO disclosed
EP-0117345-A2 Aminopyrimidinones as histamine H2-antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-09-05 EP disclosed
EP-0036716-B1 PROCESS FOR PREPARING 5-DIMETHYLAMINOMETHYL-2-FURANMETHANOL SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-07-18 EP disclosed
US-4460506-A Nitrovinyl aziridine derivative GLAXO GROUP LIMITED (GB) 1984-07-17 US disclosed
US-4440938-A Process for the preparation of a furan derivative GLAXO GROUP LIMITED (GB) 1984-04-03 US disclosed
US-4413135-A Intermediates in the preparation of ranitidine GLAXO GROUP LIMITED (GB) 1983-11-01 US disclosed
US-4347191-A Process for the preparation of 5-dimethylaminomethyl-2-furanmethanol SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1982-08-31 US disclosed
EP-0040696-A2 Aminothiadiazoles as gastric secretion inhibitors MERCK & CO. INC. (US) 1981-12-02 EP disclosed
EP-0036716-A1 Process for preparing 5-dimethylaminomethyl-2-furanmethanol SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-09-30 EP disclosed