SCHEMBL11968314

SCHEMBL11968314

CCc1cc(Nc2nc3c(c(=O)[nH]2)NCN3CCCCN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)ccc1C

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL11967815 0.91 DRD3 (0.49) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL11967820 0.89 MEN1 (0.42) LMNA
SCHEMBL6778387 0.86 KDM4E (0.51) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL6777154 0.86 KDM4E (0.51) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL17485769 0.83 KDM4E (0.51) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL19196740 0.82 DRD3 (0.48) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL4739726 0.81 — —
SCHEMBL6783375 0.81 — —
Hydrochloric Acid SCHEMBL6780571 0.81 — —
SCHEMBL6779071 0.81 — —

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-1401829-B1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX INC (US) 2012-08-22 — — EP claimed
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