SCHEMBL7068130

SCHEMBL7068130

CNC(=S)NCC1CN(c2ccc(NCCc3ccc([N+](=O)[O-])o3)c(F)c2)C(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.46
MAOA P21397 5/20 0.44
MAOB P27338 5/20 0.44
PTGS1 P23219 2/20 0.44
SDHA P31040 2/20 0.44
LMNA P02545 1/20 0.44
CALML3 P27482 1/20 0.44

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
SCHEMBL6826435 0.92 MAOA (0.49) F10MAOAMAOBPTGS1SDHA
SCHEMBL6826438 0.92 MAOA (0.49) F10MAOAMAOBPTGS1SDHA
SCHEMBL6920350 0.91 F10 (0.44) F10MAOAMAOBPTGS1SDHA
SCHEMBL6924164 0.90 MAOA (0.56) F10MAOAMAOBPTGS1SDHA
SCHEMBL6826330 0.90 MAOA (0.56) F10MAOAMAOBPTGS1SDHA
SCHEMBL6920343 0.88 F10 (0.46) F10MAOAMAOBPTGS1SDHA
SCHEMBL7068126 0.83 MAOA (0.42) F10MAOAMAOBPTGS1SDHA
SCHEMBL7068124 0.83 MAOA (0.42) F10MAOAMAOBPTGS1SDHA
SCHEMBL7255102 0.81 MAOA (0.42) F10MAOAMAOBPTGS1SDHA
SCHEMBL7255094 0.81 MAOA (0.42) F10MAOAMAOBPTGS1SDHA

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
WO-2004101552-A1 OXAZOLIDINONE DERIVATIVES AS ANTIBACTERIAL AGENTS ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2004-11-25 WO claimed