SCHEMBL7127433

SCHEMBL7127433

O=C1OC(CNC(O)=S)CN1c1ccc(N2CCN(Cc3ccc([N+](=O)[O-])o3)CC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.43
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37

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
SCHEMBL6824189 1.00 F10 (0.43) F10POLBALDH1A1MAPTNPBWR1
SCHEMBL7127429 1.00 F10 (0.43) F10POLBALDH1A1MAPTNPBWR1
SCHEMBL6827550 0.93 POLB (0.44) F10POLB
SCHEMBL6827555 0.93 POLB (0.44) F10POLB
SCHEMBL7127423 0.91 F10 (0.45) F10POLBITGB3ITGA2B
SCHEMBL7132802 0.91 F10 (0.45) F10POLB
SCHEMBL6239753 0.87 F10 (0.45) F10POLBALDH1A1MAPTITGB3
SCHEMBL6254889 0.85 F10 (0.45) F10POLBALDH1A1MAPT
SCHEMBL6824725 0.80 F10 (0.46) F10ITGB3ITGA2B
SCHEMBL6275159 0.80 F10 (0.44) F10POLBALDH1A1MAPT

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-2004009587-A1 OXAZOLIDINONE DERIVATIVES AS ANTIBACTERIAL AGENTS ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2004-01-29 WO disclosed