SCHEMBL11904767

SCHEMBL11904767

O=c1cc(NCCCNC2CCNc3c(Br)cc(F)cc32)[nH]c2ccsc12

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 2/20 0.61
SLC2A1 P11166 1/20 0.42

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
SCHEMBL2271965 0.91 MARS1 (0.72) MARS1SLC2A1
SCHEMBL2173453 0.91 MARS1 (0.72) MARS1SLC2A1
SCHEMBL12406475 0.91 MARS1 (0.72) MARS1SLC2A1
SCHEMBL2274191 0.91 MARS1 (0.61) MARS1SLC2A1
Hydrochloric Acid SCHEMBL2173823 0.91 MARS1 (0.71) MARS1SLC2A1
Hydrochloric Acid SCHEMBL2173612 0.91 MARS1 (0.71) MARS1SLC2A1
Hydrochloric Acid SCHEMBL2173635 0.91 MARS1 (0.71) MARS1SLC2A1
SCHEMBL2275781 0.88 MARS1 (0.61) MARS1SLC2A1
SCHEMBL12370237 0.88 MARS1 (0.58) MARS1SLC2A1
SCHEMBL2272871 0.85 MARS1 (0.61) MARS1SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094714-B1 SUBSTITUTED THIENOPYRIDONE COMPOUNDS WITH ANTIBACTERIAL ACTIVITY CRESTONE INC (US) 2012-08-15 EP claimed