SCHEMBL7815904

SCHEMBL7815904

O=C(NCCCNc1cc(=O)c2ccccc2[nH]1)c1cnc(Cl)c(Cl)c1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 1/20 0.52

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
SCHEMBL7818154 0.94 ALDH1A1 (0.47) MARS1
SCHEMBL7821468 0.82 MARS1 (0.60) MARS1
SCHEMBL7818445 0.72 KDM4E (0.46) MARS1
SCHEMBL7978429 0.71 HDAC1 (0.55)
SCHEMBL5668076 0.70 MARS1 (0.59) MARS1
Hydrochloric Acid SCHEMBL5669755 0.69 MARS1 (0.58) MARS1
SCHEMBL10070268 0.69 CTSV (0.58) MARS1
Ammonia Solution, Strong SCHEMBL5667906 0.69 MARS1 (0.58) MARS1
SCHEMBL7818007 0.69 MARS1 (0.48) MARS1
SCHEMBL11147008 0.68 CNR1 (0.60)

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