SCHEMBL4599509

SCHEMBL4599509

Nc1nc(CC=O)cs1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL10403661 0.79
SCHEMBL936052 0.79
SCHEMBL16369738 0.77
Formamide SCHEMBL28176140 0.76 GABRA5 (0.50)
SCHEMBL10830273 0.76 HSD17B10 (0.46)
SCHEMBL8482071 0.75
SCHEMBL2667493 0.75
SCHEMBL14972833 0.75 MAPT (0.51)
SCHEMBL3648108 0.75 GABRA5 (0.49)
SCHEMBL10904726 0.74 GABRA5 (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0422843-B1 6-0 Methylerythromycin A oxime derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 1995-02-15 EP claimed
JP-3204893-A None JP disclosed
US-10544146-B2 Bicyclic compounds and their use as antibacterial agents and β-lactamase inhibitors FEDORA PHARMACEUTICALS INC. (CA) 2020-01-28 US disclosed
EP-3360866-B1 MIRABEGRON PRODRUGS TIEFENBACHER ALFRED E GMBH & CO KG (DE) 2019-01-02 EP disclosed
US-10030019-B2 Bicyclic compounds and their use as antibacterial agents and β-lactamase inhibitors FEDORA PHARMACEUTICALS INC. (CA) 2018-07-24 US disclosed
WO-2016024284-A2 A PROCESS FOR THE PREPARATION OF MIRABEGRON AND ITS INTERMEDIATES WANBURY LTD. (IN) 2016-02-18 WO disclosed
US-20120077711-A1 Novel Ligands and Libraries of Ligands SUNESIS PHARMACEUTICALS, INC. (US) 2012-03-29 US disclosed
EP-1910342-A1 MULTICYCLIC SULFONAMIDE COMPOUNDS AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2008-04-16 EP disclosed
WO-2007016354-A1 MULTICYCLIC SULFONAMIDE COMPOUNDS AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2007-02-08 WO disclosed
CN-1132756-A Antiviral ethers of aspartate protease substrate isosteres CIBA GEIGY AG (CH) 1996-10-09 CN disclosed
US-5302705-A Effective against Erythromycin-resistant bacteria TAISHO PHARMACEUTICAL CO., LTD. (JP) 1994-04-12 US disclosed
JP-H03204893-A 6-O-METHYLERYTHROMYCIN A OXIME DERIVATIVE TAISHO PHARMACEUT CO LTD 1991-09-06 JP disclosed
CN-85105797-A The preparation of antimicrobial compounds 1986-08-27 CN disclosed