SCHEMBL5012712

SCHEMBL5012712

COC(=O)CCc1nnc(-c2cc(C=O)c(N3CC(C)OC(C)C3)c(F)c2F)s1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL5057772 0.87 ALDH1A1 (0.32) ALDH1A1RAB9A
SCHEMBL5054392 0.86 KDM4E (0.31) ALDH1A1RAB9A
SCHEMBL5063593 0.84 KDM4E (0.33) ALDH1A1RAB9A
SCHEMBL5012832 0.84 KDM4E (0.32)
SCHEMBL5012859 0.83 KDM4E (0.35) ALDH1A1RAB9A
SCHEMBL5012158 0.79 KDM4E (0.34) ALDH1A1RAB9A
SCHEMBL5011046 0.79 KDM4E (0.34) ALDH1A1RAB9A
SCHEMBL5011042 0.79 KDM4E (0.34) ALDH1A1RAB9A
SCHEMBL5010975 0.77 KDM4E (0.33) ALDH1A1RAB9A
SCHEMBL5010977 0.77 KDM4E (0.33) ALDH1A1RAB9A

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
EP-1888597-A2 ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2008-02-20 EP disclosed
WO-2006120563-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2006-11-16 WO disclosed