SCHEMBL6924434

SCHEMBL6924434

CC(=S)NCC1CN(c2ccc(C3=CCN(C(=S)c4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.52
MAOB P27338 4/20 0.45
LMNA P02545 1/20 0.45
PTGS1 P23219 1/20 0.45
CALML3 P27482 1/20 0.45
SDHA P31040 1/20 0.45
F10 P00742 8/20 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
SCHEMBL7131371 0.89 MAOA (0.59) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7259844 0.87 MAOA (0.51) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL5417830 0.84 MAOB (0.58) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL5417826 0.84 MAOB (0.58) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7260860 0.83 MAOA (0.51) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7260863 0.83 MAOA (0.51) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6923358 0.82 MAOA (0.47) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7260834 0.81 MAOA (0.59) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL14448271 0.80 MAOB (0.65) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7520655 0.79 MAOA (0.67) MAOAMAOBLMNAPTGS1CALML3

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-2004113329-A1 OXAZOLE DERIVATIVES AS ANTIBACTERIAL AGENTS ORCHID CHEMICALS AND PHARMACEUTICALS LTD. (IN) 2004-12-29 WO claimed