SCHEMBL6656945

SCHEMBL6656945

COC(=O)c1cccc(OCCOCCNc2cc([N+](=O)[O-])cc[n+]2[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.48
MAOB P27338 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MAOA P21397 1/20 0.40
MAPT P10636 5/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
ELANE P08246 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL6664855 0.91 MAOB (0.52) MEN1KMT2AALDH1A1POLBMAOB
SCHEMBL6659831 0.91 MEN1 (0.51) MEN1KMT2AALDH1A1POLBMAOB
SCHEMBL6658434 0.89 MEN1 (0.42) MEN1KMT2AALDH1A1MAOBL3MBTL1
SCHEMBL6658616 0.88 MEN1 (0.51) MEN1KMT2AALDH1A1POLBL3MBTL1
SCHEMBL6657379 0.86 MAPT (0.53) MEN1KMT2AALDH1A1POLBL3MBTL1
SCHEMBL6662302 0.85 MAPT (0.46) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6658355 0.83 ALOX5 (0.41) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL6659094 0.82 MAOB (0.54) MEN1KMT2AALDH1A1POLBMAOB
SCHEMBL13554773 0.80 ALDH1A1 (0.46) MEN1KMT2AALDH1A1POLBMAOB
SCHEMBL6657196 0.80 MEN1 (0.57) MEN1KMT2AALDH1A1POLBL3MBTL1

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