SCHEMBL6655172

SCHEMBL6655172

O=[N+]([O-])c1cc[n+]([O-])c(NCCOCCO)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 4/20 0.37
ATG4B Q9Y4P1 1/20 0.36
PKM P14618 1/20 0.34
LMNA P02545 2/20 0.34
KCNH3 Q9ULD8 1/20 0.33
THRB P10828 1/20 0.33
RAD52 P43351 1/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL13488660 0.84 LMNA (0.48) KMT2ATSHRTDP1MAPTSMN1; SMN2
SCHEMBL6417963 0.83 ALDH1A1 (0.51) KMT2ATSHRTDP1MAPTSMN1; SMN2
SCHEMBL6662302 0.83 MAPT (0.46) KMT2AMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL6659859 0.82 ALDH1A1 (0.47) KMT2ATSHRTDP1MAPTSMN1; SMN2
SCHEMBL6658616 0.79 MEN1 (0.51) KMT2ATSHRTDP1MAPTSMN1; SMN2
SCHEMBL6657379 0.79 MAPT (0.53) KMT2ATSHRMAPTSMN1; SMN2ALDH1A1
SCHEMBL6658355 0.78 ALOX5 (0.41) KMT2AMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL6662202 0.77 MAPT (0.60) KMT2ATDP1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6664855 0.77 MAOB (0.52) KMT2AMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL6656820 0.76 DRD2 (0.54) KMT2AMAPTSMN1; SMN2ALDH1A1MEN1

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