SCHEMBL6657196

SCHEMBL6657196

COc1cccc(OCCCNc2cc([N+](=O)[O-])cc[n+]2[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
ALDH1A1 P00352 3/20 0.56
MAPT P10636 10/20 0.54
HPGD P15428 2/20 0.54
TDP1 Q9NUW8 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALPG P10696 1/20 0.51
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL6658616 0.92 MEN1 (0.51) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL6656984 0.91 MEN1 (0.51) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL6662210 0.90 MAPT (0.56) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL6659831 0.89 MEN1 (0.51) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL6656820 0.89 DRD2 (0.54) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL6659094 0.87 MAOB (0.54) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL6660189 0.87 DRD2 (0.46) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL6662627 0.85 MEN1 (0.41) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL6661644 0.85 DRD2 (0.50) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6658613 0.84 PPARG (0.46) MEN1KMT2AL3MBTL1ALDH1A1MAPT

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