SCHEMBL27712995

SCHEMBL27712995

NCCN(CC(=O)O)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
EYA2 O00167 1/20 0.40
APP P05067 1/20 0.40
ACE P12821 1/20 0.40
BLM P54132 4/20 0.39
LMNA P02545 3/20 0.39
TSHR P16473 2/20 0.39
PMP22 Q01453 2/20 0.39
ALOX15 P16050 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A4 P31645 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL18073002 0.82 TDP1 (0.37) TDP1EYA2APPACEBLM
SCHEMBL10002665 0.82 TDP1 (0.43) TDP1EYA2APPACEBLM
SCHEMBL6531908 0.82 GLRA1 (0.30) GLRA1SLC6A9OR51E2
SCHEMBL28206109 0.79 CA12 (0.43) TDP1EYA2APPACEBLM
SCHEMBL2153553 0.79 TDP1 (0.39) TDP1EYA2APPACEBLM
SCHEMBL17816490 0.76 FFAR3 (0.36) TDP1EYA2APPACEBLM
SCHEMBL18202047 0.76 TDP1 (0.36) TDP1EYA2APPACEBLM
SCHEMBL12933034 0.76 TDP1 (0.36) TDP1EYA2APPACEBLM
SCHEMBL27564906 0.76 PRSS1 (0.36) TDP1EYA2APPACEBLM
SCHEMBL9642177 0.74 TDP1 (0.56) TDP1EYA2APPACEBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102973520-B Diethylamide ethylenediamine compound-containing drug composition YAO YUN 2013-12-25 CN claimed
CN-103393543-A Method using 3D printing technology to prepare dropping pills WEI XUEWEN 2013-11-20 CN claimed
CN-102973520-B Diethylamide ethylenediamine compound-containing drug composition YAO YUN 2013-12-25 CN disclosed
CN-103393543-A Method using 3D printing technology to prepare dropping pills WEI XUEWEN 2013-11-20 CN disclosed
CN-103245740-A Related substance of ethylenediamine diaceturate and detection method thereof LIAONING COTECH BIO GEN PHARMACEUTICAL CO LTD 2013-08-14 CN disclosed
CN-101125126-A Method for preparing medical freeze-dried powder (injection) preparation FANZI CONG (CN) 2008-02-20 CN disclosed