SCHEMBL8948571

SCHEMBL8948571

O=C1COc2c1cccc2[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
RECQL P46063 1/20 0.51
KMT2A Q03164 1/20 0.51
MCL1 Q07820 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
PARP1 P09874 1/20 0.49
S100A4 P26447 2/20 0.49
PTPRC P08575 1/20 0.45
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MITF O75030 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
PSMB5 P28074 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
GPR35 Q9HC97 1/20 0.41

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
SCHEMBL16131478 0.89 MAPT (0.47) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL2247062 0.83 MAPT (0.49) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL16131492 0.81 PDE10A (0.42) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL7248426 0.75 MAPT (0.50) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL332607 0.74 POLB (0.53) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL16131479 0.73 MAPT (0.45) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL28302025 0.73 MAPT (0.45) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL21461173 0.73 S100A4 (0.42) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL27295183 0.72 TDP1 (0.39) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL27295161 0.72 S100A4 (0.36) MAPTRECQLKMT2AMCL1RXFP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5521147-A HERBICIDES FMC CORPORATION (US) 1996-05-28 US disclosed
WO-1995005079-A1 3-(BENZOFURAN-7-YL)-6-HALOALKYLURACILS FMC CORPORATION (US) 1995-02-23 WO disclosed