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SCHEMBL6826876

SCHEMBL6826876

O=C(c1ccc([N+](=O)[O-])o1)N1CCC(c2ccc(N3CC(CNC(O)=S)OC3=O)cc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 2/20 0.47
▸ MAOB P27338 5/20 0.43
▸ MAOA P21397 5/20 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 6/20 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
SCHEMBL7067025 0.92 MAOA (0.53) SLC2A1MAOBMAOALMNAPTGS1
SCHEMBL3394874 0.88 MAOB (0.53) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6923358 0.88 MAOA (0.47) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7062811 0.87 MAOA (0.43) SLC2A1MAOBMAOALMNAPTGS1
SCHEMBL7255300 0.86 MAOB (0.42) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7255291 0.86 MAOB (0.42) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7255293 0.86 MAOB (0.42) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7255295 0.86 MAOB (0.42) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6826733 0.83 MAOA (0.45) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3393622 0.81 MAOB (0.54) MAOBMAOALMNAPTGS1CALML3

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 disclosed