SCHEMBL6220522

SCHEMBL6220522

Cc1cc(N2CCCC(NCCO)CC2)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.47
RAD52 P43351 1/20 0.47
OPRK1 P41145 1/20 0.40
LGMN Q99538 2/20 0.39
PIM1 P11309 1/20 0.37
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
PRMT8 Q9NR22 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
S100B P04271 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 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
SCHEMBL6222105 0.89 GAA (0.51) GAARAD52LGMNCARM1PRMT6
SCHEMBL6221756 0.83 GAA (0.47) GAARAD52OPRK1PIM1ALDH1A1
SCHEMBL6504795 0.81 GAA (0.51) GAARAD52LGMNVCPHRH4
SCHEMBL517488 0.80 EGFR (0.48) OPRK1LGMNALDH1A1EGFRVCP
SCHEMBL6220608 0.79 GAA (0.47) GAARAD52LGMNALDH1A1LMNA
SCHEMBL12074788 0.78 MAPT (0.44) GAARAD52OPRK1ALDH1A1LMNA
SCHEMBL6222853 0.77 GAA (0.45) GAARAD52ALDH1A1LMNAMEN1
SCHEMBL6220629 0.77 GAA (0.52) GAARAD52LGMNALDH1A1LMNA
SCHEMBL6254855 0.77 GAA (0.52) GAARAD52LGMNALDH1A1LMNA
SCHEMBL6254071 0.76 GAA (0.55) GAARAD52LGMNALDH1A1LMNA

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
EP-1512684-A1 use of derivative of para-phenylenediamine substituted by a homopiperidine ring, for the dyeing of keratinous fibres L'OREAL (FR) 2005-03-09 EP claimed