SCHEMBL7797309

SCHEMBL7797309

O=[N+]([O-])c1c(O)c(F)c(Oc2cc(Oc3c(F)c(O)c([N+](=O)[O-])c(F)c3F)ncn2)c(F)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
LMNA P02545 2/20 0.30
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
THRB P10828 1/20 0.30
PKM P14618 1/20 0.30
IDO1 P14902 1/20 0.30
RECQL P46063 1/20 0.30
TDO2 P48775 1/20 0.30
BLM P54132 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
SCHEMBL7797933 0.81 S100A4 (0.33) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7788604 0.77 S100A4 (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7548967 0.69 MEN1 (0.31) MEN1KMT2A
SCHEMBL8086823 0.68 S100A4 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7788600 0.68 ESR1 (0.36) MAPTLMNA
SCHEMBL26343938 0.66 S100A4 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27990514 0.66 S100A4 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25354410 0.62 GRIN2D (0.42) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2892253 0.62 GRIN2D (0.42) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29833722 0.62 GRIN2D (0.42) MAPTGRIN2DGRIN3BGRIN1GRIN2A

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