SCHEMBL6898321

SCHEMBL6898321

CCc1cc(Nc2nc3c(ncn3CCCCN3CCN(c4cc5[nH]c(CC)c(C(=O)O)c(=O)c5cc4F)CC3)c(=O)[nH]2)ccc1C

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 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
SCHEMBL6905532 0.92 — —
SCHEMBL7058165 0.85 DRD3 (0.49) —
SCHEMBL6778387 0.83 KDM4E (0.51) —
SCHEMBL6897934 0.83 — —
SCHEMBL6895985 0.83 TK1 (0.39) TK1
SCHEMBL7059248 0.82 — —
SCHEMBL6899588 0.81 — —
SCHEMBL6902087 0.79 — —
Hydrochloric Acid SCHEMBL6903799 0.79 — —
SCHEMBL6776091 0.79 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401829-A4 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX INC (US) 2004-10-27 — — EP claimed
EP-1401829-A1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS Microbiotix, Inc. (US) 2004-03-31 — — EP claimed
WO-2002102792-A1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX, INC. (US) 2002-12-27 — — WO claimed
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