SCHEMBL8647484

SCHEMBL8647484

O=[N+]([O-])c1c(F)c(F)c(OCF)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.32
GRIN3B O60391 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2A Q12879 2/20 0.32
GRIN2B Q13224 2/20 0.32
GRIN2C Q14957 2/20 0.32
GRIN3A Q8TCU5 2/20 0.32

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
SCHEMBL28378850 0.76 ALDH1A1 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6832945 0.74 SMN1; SMN2 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1200400 0.74 VCP (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7552230 0.73 MGMT (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17208957 0.73 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6232592 0.71 VCP (0.39)
SCHEMBL5859377 0.71 ALDH1A1 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30695143 0.71 SMN1; SMN2 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7156882 0.70 TSHR (0.30)
SCHEMBL18274954 0.69 VCP (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-5756834-A SELECTIVE REPLACEMENT OF HYDROGEN ATOMS IN REACTION MEDIUM CONTAINING POLYFLUOROALKANESULFONIC ACIDS HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-26 US disclosed
EP-0773210-A1 Process for the preparation of fluorinated aromatic compounds HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-14 EP disclosed