SCHEMBL821249

SCHEMBL821249

CC(C)(C)OC(=O)Nc1ccc(Sc2ccc(-c3bcccc3)cc2[N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.44
GAA P10253 1/20 0.44
HTT P42858 5/20 0.41
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KCNJ8 Q15842 1/20 0.40
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
ALDH1A1 P00352 4/20 0.39
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
BCL2 P10415 1/20 0.38
BECN1 Q14457 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
PDE7A Q13946 1/20 0.36

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
SCHEMBL13305747 0.86 MAPT (0.47) MAPTGAAHTTABCC9ABCC8
SCHEMBL15912553 0.83 ALDH1A1 (0.52) MAPTGAAHTTABCC9ABCC8
SCHEMBL1478058 0.79 ALDH1A1 (0.53) MAPTGAAHTTABCC9ABCC8
SCHEMBL1454638 0.78 MAPT (0.52) MAPTGAAHTTMEN1KMT2A
SCHEMBL810604 0.76 MAPT (0.50) MAPTGAAHTTABCC9ABCC8
SCHEMBL811427 0.76 HTT (0.48) MAPTGAAHTTABCC9ABCC8
SCHEMBL5069003 0.75 MAPT (0.45) MAPTGAAHTTABCC9ABCC8
SCHEMBL1456061 0.75 GSTP1 (0.52) MAPTGAAHTTMEN1KMT2A
SCHEMBL1455631 0.75 MAPT (0.56) MAPTGAAHTTMEN1KMT2A
SCHEMBL810684 0.73 ALDH1A1 (0.47) MAPTGAAMEN1KMT2AALDH1A1

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-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed