SCHEMBL18279809

SCHEMBL18279809

C=C(C)C(N)=O.NCCCCCN

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.63
PAOX Q6QHF9 3/20 0.54
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
PLG P00747 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
SLC6A2 P23975 1/20 0.44
RECQL P46063 1/20 0.44
SLC6A3 Q01959 1/20 0.44
DNM1 Q05193 5/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA3 P07451 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA5A P35218 2/20 0.42

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
SCHEMBL18279788 1.00 TDP1 (0.63) TDP1PAOXLMNAMEN1ALDH1A1
SCHEMBL8187319 1.00 TDP1 (0.63) TDP1PAOXLMNAMEN1ALDH1A1
SCHEMBL29100268 1.00 TDP1 (0.63) TDP1PAOXLMNAMEN1ALDH1A1
SCHEMBL10642806 1.00 TDP1 (0.63) TDP1PAOXLMNAMEN1ALDH1A1
Putrescine SCHEMBL867233 0.97 TDP1 (0.67) TDP1PAOXLMNAMEN1ALDH1A1
SCHEMBL8190449 0.92 TDP1 (0.67) TDP1PAOXLMNAMEN1ALDH1A1
Hexadecylamine SCHEMBL28502153 0.91 DNM1 (0.56) TDP1PAOXMEN1ALDH1A1KMT2A
SCHEMBL6855758 0.91 DNM1 (0.56) TDP1PAOXMEN1ALDH1A1KMT2A
Aminocaproic Acid SCHEMBL11585538 0.87 LMNA (0.68) TDP1PAOXLMNAMEN1ALDH1A1
Ethylenediamine SCHEMBL8998818 0.86 TDP1 (0.75) TDP1PAOXLMNAALDH1A1THRB

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-3105286-B1 PROCESS FOR CURING (METH)ACRYLATE-CONTAINING UP OR VE RESIN AKZO NOBEL CHEMICALS INT BV (NL) 2018-04-11 EP disclosed
US-20160355664-A1 PROCESS FOR CURING (METH)ACRYLATE-CONTAINING UP OR VE RESIN AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2016-12-08 US disclosed