SCHEMBL13767339

SCHEMBL13767339

COc1ccc([N+](=O)[O-])c(C(=O)/C(F)=C/N)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 18/20 0.44
S1PR4 O95977 2/20 0.41
MAPT P10636 2/20 0.41
S1PR1 P21453 2/20 0.41
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
PAX8 Q06710 1/20 0.41
JAK2 O60674 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HTT P42858 1/20 0.41
GSR P00390 2/20 0.40

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
SCHEMBL5021634 0.90 TXNRD1 (0.46) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL2516685 0.85 TXNRD1 (0.42) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL2516684 0.85 TXNRD1 (0.42) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL2516681 0.85 TXNRD1 (0.42) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL14048719 0.83 TXNRD1 (0.47) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL16648934 0.78 TXNRD1 (0.53) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL2520856 0.76 TXNRD1 (0.51) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL29692796 0.76 TXNRD1 (0.51) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL21617705 0.74 TXNRD1 (0.51) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL22013249 0.73 TXNRD1 (0.51) TXNRD1S1PR4MAPTS1PR1MAPK1

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
EP-2080761-A1 Compounds GLAXO GROUP LIMITED (GB) 2009-07-22 EP disclosed