SCHEMBL8190449

SCHEMBL8190449

C=C(C)C(N)=O.NCCCN

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.67
PAOX Q6QHF9 4/20 0.44
LMNA P02545 4/20 0.38
BLM P54132 4/20 0.38
TSHR P16473 4/20 0.38
CYP1A2 P05177 3/20 0.38
THRB P10828 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GABBR2 O75899 2/20 0.38
GABBR1 Q9UBS5 2/20 0.38
GABRR3 A8MPY1 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
HDAC3 O15379 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRR1 P24046 1/20 0.38
GABRB3 P28472 1/20 0.38

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
Putrescine SCHEMBL867233 0.94 TDP1 (0.67) TDP1PAOXLMNABLMTSHR
SCHEMBL18279809 0.92 TDP1 (0.63) TDP1PAOXLMNABLMTSHR
SCHEMBL10642806 0.92 TDP1 (0.63) TDP1PAOXLMNABLMTSHR
SCHEMBL29100268 0.92 TDP1 (0.63) TDP1PAOXLMNABLMTSHR
SCHEMBL8187319 0.92 TDP1 (0.63) TDP1PAOXLMNABLMTSHR
SCHEMBL18279788 0.92 TDP1 (0.63) TDP1PAOXLMNABLMTSHR
Ethylenediamine SCHEMBL8998818 0.88 TDP1 (0.75) TDP1PAOXLMNABLMTSHR
Ethylenediamine SCHEMBL10644761 0.88 TDP1 (0.75) TDP1PAOXLMNABLMTSHR
Ethylenediamine SCHEMBL524897 0.88 TDP1 (0.75) TDP1PAOXLMNABLMTSHR
Ethylenediamine SCHEMBL8679720 0.86 TDP1 (0.71) TDP1PAOXLMNABLMTSHR

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 5 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
US-6046289-A FOR INHIBITING COAGULATION OF BLOOD PLATELETS, INHIBITING ADHESION OF ANIMAL CELLS, OR AS SUBSTRATE FOR CULTURING ANIMAL CELLS FUJIFILM CORPORATION (JP) 2000-04-04 US disclosed
EP-0488258-B1 Propenamide derivatives, polymers, copolymers and use thereof FUJI PHOTO FILM CO LTD (JP) 1996-04-17 EP disclosed
EP-0488258-A2 Propenamide derivatives, polymers, copolymers and use thereof FUJI PHOTO FILM CO., LTD. (JP) 1992-06-03 EP disclosed