SCHEMBL28878765

SCHEMBL28878765

COc1c(F)cc(NC(C)=O)c([N+](=O)[O-])c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
PKM P14618 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
EPHX1 P07099 1/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL23648006 0.80 MAPT (0.40) SMN1; SMN2NPSR1MAPTKMT2AMEN1
SCHEMBL4361946 0.78 NPSR1 (0.42) SMN1; SMN2NPSR1MAPTKMT2AMEN1
SCHEMBL16427650 0.75 SMN1; SMN2 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7035124 0.75 SMN1; SMN2 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10510922 0.75 PKM (0.49) SMN1; SMN2NPSR1MAPTKMT2AMEN1
SCHEMBL18751505 0.74 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9461983 0.73 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1646147 0.73 MAPT (0.48) SMN1; SMN2NPSR1MAPTKMT2AMEN1
SCHEMBL25367565 0.73 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7252406 0.73 KMT2A (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110487918-A The analysis method of genotoxicity impurity in Pantoprazole Sodium and its starting material INST MATERIA MEDICA CAMS 2019-11-22 CN claimed