SCHEMBL6664855

SCHEMBL6664855

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.52
MAOA P21397 3/20 0.50
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL6656945 0.91 MEN1 (0.48) MAOBMAOAALDH1A1MEN1KMT2A
SCHEMBL6659094 0.91 MAOB (0.54) MAOBMAOAALDH1A1MEN1KMT2A
SCHEMBL6658434 0.90 MEN1 (0.42) MAOBMAOAALDH1A1MEN1KMT2A
SCHEMBL6658616 0.87 MEN1 (0.51) ALDH1A1MEN1KMT2AL3MBTL1POLB
SCHEMBL6657379 0.87 MAPT (0.53) ALDH1A1MEN1KMT2AL3MBTL1POLB
SCHEMBL6662302 0.86 MAPT (0.46) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6658355 0.84 ALOX5 (0.41) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL6659831 0.82 MEN1 (0.51) MAOBMAOAALDH1A1MEN1KMT2A
SCHEMBL6662202 0.82 MAPT (0.60) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL6659471 0.80 MEN1 (0.47) MAOBMAOAALDH1A1MEN1KMT2A

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