SCHEMBL7978484

SCHEMBL7978484

O=c1cc(NCCCNCc2sc(Br)c(Br)c2Br)[nH]c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 1/20 0.60

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
SCHEMBL5667941 0.83 MARS1 (0.60) MARS1
SCHEMBL5668282 0.82 MARS1 (0.71) MARS1
SCHEMBL7805404 0.81 MARS1 (0.69) MARS1
Bederocin SCHEMBL29489902 0.80 MARS1 (0.52) MARS1
Bederocin SCHEMBL14174629 0.80 MARS1 (0.52) MARS1
SCHEMBL5668636 0.80 MARS1 (0.56) MARS1
SCHEMBL5669205 0.80 MARS1 (0.61) MARS1
SCHEMBL7992432 0.79 MARS1 (0.60) MARS1
SCHEMBL7814820 0.78 MARS1 (0.53) MARS1
SCHEMBL7815298 0.77 MARS1 (0.67) 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 2 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
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