SCHEMBL6508296

SCHEMBL6508296

O=C1NCCO1.c1cc(Oc2ccon2)no1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
AURKA O14965 1/20 0.31
FABP6 P51161 1/20 0.30
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL2750495 0.80 HSP90AA1 (0.34) FABP6HSP90AA1
SCHEMBL969300 0.73
SCHEMBL4198 0.73
SCHEMBL4621927 0.73 FABP6 (0.35) FABP6HSP90AA1
SCHEMBL80643 0.73
Fluoride SCHEMBL27461973 0.73
SCHEMBL28445159 0.72 ALDH1A1 (0.36)
SCHEMBL27244229 0.72 FABP6 (0.38) PDE3BPDE3AFABP6HSP90AA1
Benzene SCHEMBL27417324 0.71 FABP6 (0.36) FABP6HSP90AA1
SCHEMBL935971 0.71

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