SCHEMBL2839893

SCHEMBL2839893

CCOC(=O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1CC(O)(COc2ccc(N4C[C@H](CNC(C)=O)OC4=O)cc2F)CC1CO3

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TOP2B Q02880 1/20 0.47
MAOA P21397 5/20 0.39
MAOB P27338 2/20 0.39
PTGS1 P23219 2/20 0.38
SDHA P31040 2/20 0.38
LMNA P02545 1/20 0.38
CALML3 P27482 1/20 0.38
ADRB2 P07550 1/20 0.36
CMA1 P23946 1/20 0.36

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
SCHEMBL2841211 1.00 TOP2B (0.47) TOP2BMAOAMAOBPTGS1SDHA
SCHEMBL3053054 1.00 TOP2B (0.47) TOP2BMAOAMAOBPTGS1SDHA
SCHEMBL2838556 0.93 MAOA (0.40) TOP2BMAOAMAOBPTGS1SDHA
SCHEMBL2843682 0.93 MAOA (0.40) TOP2BMAOAMAOBPTGS1SDHA
SCHEMBL2845832 0.88 MAOA (0.40) MAOAMAOB
SCHEMBL2841933 0.88 MAOA (0.40) MAOAMAOB
SCHEMBL3063470 0.87 TOP2B (0.35) TOP2BMAOBLMNA
SCHEMBL2844562 0.87 TOP2B (0.35) TOP2BMAOBLMNA
SCHEMBL2841950 0.87 TOP2B (0.35) TOP2BMAOBLMNA
SCHEMBL2837771 0.87 KCNH2 (0.36) MAOBLMNA

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-2256120-A1 Oxazolidinone-quinolone hybrids as antibacterial compounds Actelion Pharmaceuticals Ltd. (CH) 2010-12-01 EP disclosed