SCHEMBL6533030

SCHEMBL6533030

CN1C(=NC#N)COc2cc(N3C[C@H](CNC(=O)OC(C)(C)C)OC3=O)ccc21

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.52
MAOB P27338 5/20 0.42
MAOA P21397 4/20 0.42
LMNA P02545 1/20 0.42
PTGS1 P23219 1/20 0.42
CALML3 P27482 1/20 0.42
SDHA P31040 1/20 0.42
RORC P51449 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
SCHEMBL6533034 1.00 F10 (0.52) F10MAOBMAOALMNAPTGS1
SCHEMBL6503202 0.89 F10 (0.53) F10MAOBMAOALMNAPTGS1
SCHEMBL6508378 0.89 F10 (0.56) F10MAOBMAOALMNAPTGS1
SCHEMBL6508382 0.89 F10 (0.56) F10MAOBMAOALMNAPTGS1
SCHEMBL6527251 0.87 F10 (0.56) F10MAOBMAOALMNAPTGS1
SCHEMBL6527252 0.87 F10 (0.56) F10MAOBMAOALMNAPTGS1
SCHEMBL6530158 0.87 F10 (0.67) F10MAOBMAOALMNAPTGS1
SCHEMBL6513351 0.82 F10 (0.57) F10MAOBMAOALMNAPTGS1
SCHEMBL6513345 0.82 F10 (0.57) F10MAOBMAOALMNAPTGS1
SCHEMBL6528599 0.81 F10 (0.46) F10MAOBMAOALMNAPTGS1

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-2005082897-A1 OXAZOLIDINONE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-09-09 WO disclosed