SCHEMBL7797933

SCHEMBL7797933

O=[N+]([O-])c1c(O)c(F)c(Oc2c(F)c(F)c(Oc3c(F)c(O)c([N+](=O)[O-])c(F)c3F)c(F)c2F)c(F)c1F

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7788604 0.94 S100A4 (0.31) S100A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7548967 0.81 MEN1 (0.31)
SCHEMBL8086823 0.81 S100A4 (0.39) S100A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL26343938 0.78 S100A4 (0.40) S100A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27990514 0.78 S100A4 (0.40) S100A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7788600 0.77 ESR1 (0.36)
SCHEMBL27491841 0.73 GPR35 (0.36) S100A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28684589 0.73 S100A4 (0.40) S100A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7794447 0.73 S100A4 (0.40) S100A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28695129 0.72 S100A4 (0.39) S100A4GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906903-B1 Bis-o-amino(thio)phenols and their preparartion INFINEON TECHNOLOGIES AG (DE) 2001-12-12 EP disclosed
US-6150558-A Bis-o-amino(thio)phenols, and their preparation SIEMENS AKTIENGESELLSCHAFT (DE) 2000-11-21 US disclosed
EP-0906903-A2 Bis-o-amino(thio)phenols and their preparartion SIEMENS AKTIENGESELLSCHAFT (DE) 1999-04-07 EP disclosed