SCHEMBL8487525

SCHEMBL8487525

N=C(N)Nc1nc(CSCCN)cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 10/20 0.39
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH2 P25021 3/20 0.35
SLC22A2 O15244 2/20 0.35
CA12 O43570 2/20 0.35
SLC22A3 O75751 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
MAOA P21397 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
CA7 P43166 2/20 0.35
BLM P54132 2/20 0.35
PMP22 Q01453 2/20 0.35
POU5F1 Q01860 2/20 0.35
CA9 Q16790 2/20 0.35

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
Hydrochloric Acid SCHEMBL8481908 0.99 AOC3 (0.38) AOC3KMT2ASMN1; SMN2HRH2SLC22A2
Hydrochloric Acid SCHEMBL10934527 0.99 AOC3 (0.38) AOC3KMT2ASMN1; SMN2HRH2SLC22A2
SCHEMBL11002732 0.92 AOC3 (0.37) AOC3KMT2ASMN1; SMN2HRH2SLC22A2
Hydrochloric Acid SCHEMBL11259470 0.91 AOC3 (0.36) AOC3KMT2ASMN1; SMN2HRH2SLC22A2
SCHEMBL10587291 0.87 HRH2 (0.39) AOC3KMT2ASMN1; SMN2HRH2SLC22A2
SCHEMBL8411573 0.87 KMT2A (0.35) AOC3KMT2ASMN1; SMN2HRH2SLC22A2
Hydrochloric Acid SCHEMBL10439042 0.86 HRH2 (0.39) AOC3KMT2ASMN1; SMN2HRH2SLC22A2
Hydrochloric Acid SCHEMBL11236238 0.86 HRH2 (0.39) AOC3KMT2ASMN1; SMN2HRH2SLC22A2
SCHEMBL8411615 0.85 KMT2A (0.34) AOC3KMT2ASMN1; SMN2HRH2SLC22A2
SCHEMBL9817424 0.85 HRH2 (0.40) AOC3KMT2ASMN1; SMN2HRH2SLC22A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0094303-B1 AMIDES, THEIR SALTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI S.A. (FR) 1985-11-06 EP claimed
EP-0094303-A1 Amides, their salts, process for their preparation and pharmaceutical compositions containing them SANOFI S.A. (FR) 1983-11-16 EP claimed
US-4262126-A INHIBIT SECRETION OF GASTRIC JUICE IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-04-14 US claimed
JP-62175474-A None JP disclosed
US-6005115-A HISTAMINE H.SUB.2-RECEPTOR ANTAGONIST, USEFUL IN THERAPY AS AN ACID SECRETION INHIBITOR FERRER INTERNACIONAL, S.A. (ES) 1999-12-21 US disclosed
EP-0738721-A1 FORMS A AND B OF N-[[[2-[[[2-[(DIAMINOMETHYLEN)AMINO]-4-THIAZOLYL]METHYL]THIO]ETHYL]AMINO]METHYLEN]-4-BROMOBENZENOSULPHONAMIDE FERRER INTERNACIONAL, S.A. (ES) 1996-10-23 EP disclosed
US-5212187-A Antihistamines ZYMA SA (CH) 1993-05-18 US disclosed
EP-0526395-A1 Arylalkylamine derivatives, process for their preparation and pharmaceutical compositions containing them Zyma SA (CH) 1993-02-03 EP disclosed
US-5171860-A Diamino isothiazole-1-oxides and 1,1 dioxides as gastric secretion inhibitors MERCK & CO., INC. (US) 1992-12-15 US disclosed
EP-0159012-B1 SULFONAMIDINES, A PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FERRER INTERNACIONAL, S.A. (ES) 1989-02-01 EP disclosed
US-4772704-A ANTIULCER AGENTS BRISTOL-MYERS COMPANY (US) 1988-09-20 US disclosed
US-4307104-A BLOCKING HISTAMINE H2 RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-12-22 US disclosed
EP-0040696-A2 Aminothiadiazoles as gastric secretion inhibitors MERCK & CO. INC. (US) 1981-12-02 EP disclosed
EP-0028482-A1 Guanidine compounds, process for preparing them and compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-05-13 EP disclosed
US-4262126-A INHIBIT SECRETION OF GASTRIC JUICE IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-04-14 US disclosed
EP-0015138-A1 Pyrimidone derivatives, processes for their preparation and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-09-03 EP disclosed
EP-0010894-A1 Antisecretory heterocyclic guanidine derivatives, process for their manufacture and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-05-14 EP disclosed
EP-0010418-A1 Antisecretory guanidine derivatives, processes for their manufacture and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-04-30 EP disclosed
US-4200578-A ANTIULCER AGENTS, BLOCKING AGENTS, ANTISECRETORY AGENTS BRISTOL-MYERS COMPANY (US) 1980-04-29 US disclosed
US-4165378-A ANTISECRETORY, ANTIHISTAMINE ICI AMERICAS INC. (US) 1979-08-21 US disclosed