SCHEMBL3977939

SCHEMBL3977939

CC(C)(C)OC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)C(=O)C1.O=C1CNCCN1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
MET P08581 1/20 0.38
MAPK1 P28482 1/20 0.38
ENPP2 Q13822 6/20 0.38
USP30 Q70CQ3 2/20 0.38
ACHE P22303 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL30998103 0.91 MAPT (0.55) ALDH1A1MAPTLMNAMETENPP2
SCHEMBL5119617 0.91 MAPT (0.55) ALDH1A1MAPTLMNAMETENPP2
SCHEMBL3978819 0.82 HPN (0.49) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL2634714 0.82 HPN (0.49) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL5093442 0.79 MAPT (0.70) ALDH1A1MAPTLMNA
SCHEMBL4259265 0.79 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2A
SCHEMBL1583541 0.78 HPGDS (0.48) ENPP2USP30
SCHEMBL5891913 0.77 P2RX7 (0.58) MAPTENPP2USP30MEN1KMT2A
SCHEMBL22650344 0.77 NR1H2 (0.53) ALDH1A1MAPTLMNAMAPK1USP30
SCHEMBL985189 0.77 LMNA (0.73) ALDH1A1MAPTLMNAMETENPP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1907385-A4 COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-05-06 EP disclosed
EP-1907385-A2 COMPOUNDS SmithKline Beecham Corporation (US) 2008-04-09 EP disclosed
WO-2007018941-A2 PYRIMIDYL-THIOPHENE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed