SCHEMBL7818124

SCHEMBL7818124

O=c1cc(NCCCNCc2cc(I)cc(I)c2)[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 1/20 0.71

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
SCHEMBL7821287 0.92 MARS1 (0.64) MARS1
SCHEMBL5668274 0.91 MARS1 (0.71) MARS1
SCHEMBL7805404 0.87 MARS1 (0.69) MARS1
SCHEMBL5669207 0.87 MARS1 (0.76) MARS1
SCHEMBL5668282 0.86 MARS1 (0.71) MARS1
SCHEMBL7817860 0.84 MARS1 (0.74) MARS1
SCHEMBL7815298 0.83 MARS1 (0.67) MARS1
SCHEMBL7814907 0.83 MARS1 (0.76) MARS1
SCHEMBL5669849 0.83 MARS1 (0.76) MARS1
SCHEMBL178914 0.83 MARS1 (1.00) MARS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6320051-B1 AMINO(NH) OR OXYGEN(O) SUBSTITUTED, ENZYME INHIBITORS OF STAPHLOCCOCUS AUREUS METHIONYL T-RNA SYNTHETASE (MRS); ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2001-11-20 US claimed
EP-1084110-A1 QUINOLONES USED AS MRS INHIBITORS AND BACTERICIDES SMITHKLINE BEECHAM PLC (GB) 2001-03-21 EP claimed
WO-1999055677-A1 QUINOLONES USED AS MRS INHIBITORS AND BACTERICIDES SMITHKLINE BEECHAM PLC (GB) 1999-11-04 WO claimed
US-6320051-B1 AMINO(NH) OR OXYGEN(O) SUBSTITUTED, ENZYME INHIBITORS OF STAPHLOCCOCUS AUREUS METHIONYL T-RNA SYNTHETASE (MRS); ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2001-11-20 US disclosed
EP-1084110-A1 QUINOLONES USED AS MRS INHIBITORS AND BACTERICIDES SMITHKLINE BEECHAM PLC (GB) 2001-03-21 EP disclosed
WO-1999055677-A1 QUINOLONES USED AS MRS INHIBITORS AND BACTERICIDES SMITHKLINE BEECHAM PLC (GB) 1999-11-04 WO disclosed