SCHEMBL6656115

SCHEMBL6656115

CC(=O)CCc1ccc(OCCOCCNc2cc([N+](=O)[O-])cc[n+]2[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 3/20 0.37
GAA P10253 2/20 0.37

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
SCHEMBL6658791 0.91 KCNH2 (0.46) KCNH2MAPTALDH1A1MEN1KMT2A
SCHEMBL6662202 0.85 MAPT (0.60) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL6662302 0.83 MAPT (0.46) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL6660405 0.83 KCNH2 (0.45) KCNH2MAPTALDH1A1MEN1KMT2A
SCHEMBL6664855 0.80 MAOB (0.52) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL6657379 0.79 MAPT (0.53) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL6658616 0.79 MEN1 (0.51) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL6656945 0.77 MEN1 (0.48) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL6655172 0.76 KMT2A (0.49) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL6658355 0.76 ALOX5 (0.41) MAPTALDH1A1MEN1KMT2ALMNA

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
WO-2004004715-A2 NOVEL DELTA OPIOID RECEPTOR LIGANDS GLAXOSMITHKLINE SPA (IT) 2004-01-15 WO disclosed