SCHEMBL11222356

SCHEMBL11222356

COC(=S)NCCNC(C)=O.NC(O)=S

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HIF1A Q16665 1/20 0.41
PAOX Q6QHF9 3/20 0.39
TSHR P16473 2/20 0.39
ADRA1A P35348 1/20 0.38
MTNR1A P48039 6/20 0.38
MTNR1B P49286 6/20 0.38
ALDH1A1 P00352 2/20 0.38
TAS2R38 P59533 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL10840228 0.92 KDM4E (0.48) MAPK1KDM4EHIF1APAOXTSHR
SCHEMBL10858021 0.91 KDM4E (0.57) MAPK1KDM4EHIF1APAOXTSHR
SCHEMBL11614892 0.81 KDM4E (0.46) MAPK1KDM4EHIF1APAOXTSHR
SCHEMBL11358449 0.80 ECE1 (0.42) KDM4ETSHRADRA1A
SCHEMBL11444958 0.78 PAOX (0.46) MAPK1KDM4EHIF1APAOXTSHR
SCHEMBL11398140 0.77 ADRA1A (0.44) MAPK1TSHRADRA1AALDH1A1SMN1; SMN2
SCHEMBL11434568 0.77 POLB (0.36) L3MBTL1
SCHEMBL4531919 0.76 KDM4E (0.50) MAPK1KDM4EHIF1APAOXTSHR
SCHEMBL11392566 0.75 EGLN1 (0.48) KDM4EHIF1ATSHRALDH1A1SMN1; SMN2
SCHEMBL11388023 0.74 ADRA1A (0.55) MAPK1ADRA1AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0018669-B1 1-(2-SULFAMOYLAMINOETHYL)-1,4-DIHYDRO-5H-TETRAZOLE-5-THIONE AND ITS SALTS SMITHKLINE BECKMAN CORPORATION (US) 1982-04-14 EP disclosed
EP-0000100-B1 7-ACYLAMINO-3-(1-(2-SULFAMOYLAMINOETHYL)-TETRAZOL-5-YLTHIOMETHYL)-3-CEPHEM-4-CARBOXYLIC ACIDS, A PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SMITHKLINE BECKMAN CORPORATION (US) 1982-02-03 EP disclosed
EP-0018669-A1 1-(2-Sulfamoylaminoethyl)-1,4-dihydro-5H-tetrazole-5-thione and its salts SMITHKLINE BECKMAN CORPORATION (US) 1980-11-12 EP disclosed
US-4205166-A 7-Substituted-3-aminoalkyl-, acylaminoalkyl-, or hydroxyalkyl-substituted heterocyclic thiomethyl-3-cephem-4-carboxylic acid derivatives and preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-05-27 US disclosed
US-4178288-A Sulfaminoalkyl substituted tetrazole thiol intermediates for preparing cephalosporins SMITHKLINE CORPORATION (US) 1979-12-11 US disclosed
US-4174323-A BACTERICIDE, CEPHALOSPORIN INTERMEDIATES SMITHKLINE CORPORATION (US) 1979-11-13 US disclosed
US-4171368-A 7-Acylamino-3-(sulfaminoalkyl substituted tetrazolylthiomethyl)cephalosporins, antibacterial compositions containing them and methods of treating bacterial infections with them SMITHKLINE CORPORATION (US) 1979-10-16 US disclosed
US-4171433-A 7-Amino-3-(sulfaminoalkyl substituted tetrazolylthiomethyl)cephalosporin intermediates for preparing 7-acylamino cephalosporins SMITHKLINE CORPORATION (US) 1979-10-16 US disclosed
US-4171362-A 7-Acylamino-3-(sulfaminoalkyl substituted tetrazolylthiomethyl)cephalosporins antibacterial compositions containing them and methods of treating bacterial infections with them SMITHKLINE CORPORATION (US) 1979-10-16 US disclosed
EP-0000100-A1 7-Acylamino-3-(1-(2-sulfamoylaminoethyl)-tetrazol-5-ylthiomethyl)-3-cephem-4-carboxylic acids, a process for their preparation and compositions containing them SMITHKLINE BECKMAN CORPORATION (US) 1978-12-20 EP disclosed
US-4118491-A 7-Acyl-3-(sulfaminoalkyl substituted tetrazolylthiomethyl)cephalosporins, antibacterial compositions containing them and methods of treating bacterial infections with them SMITHKLINE CORPORATION (US) 1978-10-03 US disclosed
US-4117123-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1978-09-26 US disclosed
US-4101656-A 7β-Acylamino-3-(alkanesulfonamidoalkyl substituted tetrazolylthiomethyl) cephalosporins, antibacterial compositions containing them and methods of treating bacterial infections with them SMITHKLINE CORPORATION (US) 1978-07-18 US disclosed
US-4096256-A ANTIBIOTICS SMITHKLINE CORPORATION (US) 1978-06-20 US disclosed
US-4068073-A BACTERICIDES SMITHKLINE CORPORATION (US) 1978-01-10 US disclosed
US-4066762-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1978-01-03 US disclosed
US-4066761-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1978-01-03 US disclosed
US-4059591-A Ureidoalkyl substituted tetrazole thiol intermediates for preparing cephalosporins SMITHKLINE CORPORATION (US) 1977-11-22 US disclosed
US-4025626-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1977-05-24 US disclosed