SCHEMBL7817330

SCHEMBL7817330

O=c1cc(NCCCNCc2ccccc2C(F)(F)F)[nH]c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 1/20 0.61

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
SCHEMBL5668780 0.83 MARS1 (0.77) MARS1
SCHEMBL5670545 0.83 MARS1 (0.57) MARS1
SCHEMBL5668828 0.81 MARS1 (0.54) MARS1
SCHEMBL7817860 0.79 MARS1 (0.74) MARS1
SCHEMBL5668980 0.78 MARS1 (0.51) MARS1
SCHEMBL7992693 0.78 MARS1 (0.60) MARS1
Hydrochloric Acid SCHEMBL7815056 0.77 MARS1 (0.66) MARS1
SCHEMBL5669207 0.77 MARS1 (0.76) MARS1
SCHEMBL5669892 0.77 MARS1 (0.74) MARS1
SCHEMBL7818124 0.76 MARS1 (0.71) 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 4 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