SCHEMBL5069003

SCHEMBL5069003

CC(C)(C)OC(=O)Nc1ccc(Sc2ccc(OCCc3ccccc3)cc2[N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
GAA P10253 1/20 0.45
HTT P42858 2/20 0.42
ABCC9 O60706 1/20 0.41
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
KCNJ8 Q15842 1/20 0.41
PPARA Q07869 6/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
ALDH1A1 P00352 1/20 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
SCHEMBL810604 0.91 MAPT (0.50) MAPTGAAHTTABCC9ABCC8
SCHEMBL811427 0.82 HTT (0.48) MAPTGAAHTTABCC9ABCC8
SCHEMBL13234660 0.80 PPARA (0.59) PPARASMN1; SMN2
SCHEMBL5067776 0.79 PDE7A (0.53) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL13305747 0.79 MAPT (0.47) MAPTGAAHTTABCC9ABCC8
SCHEMBL811265 0.78 L3MBTL1 (0.48) MAPTGAAPKML3MBTL1MEN1
SCHEMBL1478058 0.77 ALDH1A1 (0.53) MAPTGAAHTTABCC9ABCC8
SCHEMBL1454638 0.77 MAPT (0.52) MAPTGAAHTTL3MBTL1MEN1
SCHEMBL810853 0.76 RAB9A (0.51) MAPTMEN1KMT2ASMN1; SMN2SIRT2
SCHEMBL15912553 0.76 ALDH1A1 (0.52) MAPTGAAHTTABCC9ABCC8

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
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 WO disclosed