SCHEMBL111174

SCHEMBL111174

C/C=C/C(=O)NCCCN

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.45
APEX1 P27695 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
ESR1 P03372 1/20 0.36
SLC6A5 Q9Y345 2/20 0.36
EGFR P00533 1/20 0.36
LMNA P02545 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
SCHEMBL21049693 1.00 PAOX (0.45) PAOXAPEX1SMN1; SMN2ALDH1A1TAAR1
SCHEMBL111589 0.94 PAOX (0.53) PAOXAPEX1SMN1; SMN2ALDH1A1TAAR1
SCHEMBL13314415 0.92 PAOX (0.57) PAOXAPEX1MAPTZDHHC20ZDHHC2
SCHEMBL108156 0.92 PAOX (0.57) PAOXAPEX1MAPTZDHHC20ZDHHC2
SCHEMBL21049696 0.87
SCHEMBL109850 0.87
SCHEMBL21610956 0.87 APEX1 (0.49) APEX1SMN1; SMN2ALDH1A1TAAR1KMT2A
SCHEMBL22187118 0.85 APEX1 (0.51) APEX1SMN1; SMN2ALDH1A1TAAR1MAPT
SCHEMBL9589712 0.83
SCHEMBL14642043 0.82 SMN1; SMN2 (0.46) APEX1SMN1; SMN2ALDH1A1TAAR1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4253434-A1 SUBSTRATE, AND PREPARATION METHOD THEREFOR AND USE OF SUBSTRATE GeneMind Biosciences Company Limited (CN) 2023-10-04 EP disclosed
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