SCHEMBL7062811

SCHEMBL7062811

CNC(=S)NC[C@H]1CN(c2ccc(C3CCN(C(=S)c4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.43
MAOB P27338 4/20 0.43
LMNA P02545 1/20 0.43
PTGS1 P23219 1/20 0.43
CALML3 P27482 1/20 0.43
SDHA P31040 1/20 0.43
F10 P00742 8/20 0.40
SLC2A1 P11166 1/20 0.39

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
SCHEMBL6923358 0.92 MAOA (0.47) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7255102 0.90 MAOA (0.42) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7255094 0.90 MAOA (0.42) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6826876 0.87 SLC2A1 (0.47) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7067025 0.86 MAOA (0.53) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7255501 0.83 MAOB (0.44) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7255499 0.83 MAOB (0.44) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7255068 0.82 MAOA (0.46) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7255065 0.82 MAOA (0.46) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7258835 0.82 MAOB (0.40) 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