SCHEMBL157106

SCHEMBL157106

C/C=C/C(=O)NCCCCNC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.48
MAPT P10636 1/20 0.42
ZDHHC20 Q5W0Z9 3/20 0.41
ZDHHC2 Q9UIJ5 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EGFR P00533 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.37
PYGL P06737 3/20 0.37
APP P05067 1/20 0.36

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
SCHEMBL113308 0.98 APEX1 (0.47) APEX1MAPTZDHHC20ZDHHC2SMN1; SMN2
SCHEMBL13314418 0.98 APEX1 (0.47) APEX1MAPTZDHHC20ZDHHC2SMN1; SMN2
SCHEMBL109519 0.96 APEX1 (0.44) APEX1MAPTZDHHC20ZDHHC2SMN1; SMN2
SCHEMBL22187118 0.89 APEX1 (0.51) APEX1MAPTZDHHC20ZDHHC2SMN1; SMN2
SCHEMBL109577 0.87 SMN1; SMN2 (0.41) APEX1SMN1; SMN2ALDH1A1TAAR1KMT2A
SCHEMBL21610956 0.87 APEX1 (0.49) APEX1MAPTZDHHC20ZDHHC2SMN1; SMN2
SCHEMBL27189642 0.83 APEX1 (0.48) APEX1MAPTZDHHC20ZDHHC2SMN1; SMN2
SCHEMBL7532604 0.83 ZDHHC20 (0.60) APEX1MAPTZDHHC20ZDHHC2EGFR
SCHEMBL7532607 0.83 ZDHHC20 (0.60) APEX1MAPTZDHHC20ZDHHC2EGFR
SCHEMBL22187119 0.82 SMN1; SMN2 (0.46) APEX1MAPTZDHHC20ZDHHC2SMN1; SMN2

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
EP-2424491-A2 FILM FORMER IN HAIR DYES Henkel AG & Co. KGaA (DE) 2012-03-07 EP disclosed
WO-2010124897-A2 FILM FORMER IN HAIR DYES HENKEL AG & CO. KGAA (DE) 2010-11-04 WO disclosed