SCHEMBL28197375

SCHEMBL28197375

C=C(C)C(=O)NCCCCN(C(C)C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
TGFBR1 P36897 1/20 0.36
ALDH1A1 P00352 1/20 0.33
EPHX1 P07099 2/20 0.32
PAOX Q6QHF9 3/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL182244 0.95 KDM4E (0.37) KDM4EMAPK1HIF1ATGFBR1ALDH1A1
SCHEMBL4820203 0.87 ACHE (0.39) KDM4ETGFBR1ALDH1A1MEN1KMT2A
SCHEMBL907569 0.81 KDM4E (0.52) KDM4EMAPK1HIF1ATGFBR1ALDH1A1
SCHEMBL27505321 0.80 KDM4E (0.35) KDM4EMAPK1HIF1AALDH1A1EPHX1
SCHEMBL111005 0.80 KDM4E (0.50) KDM4EMAPK1HIF1AALDH1A1PAOX
SCHEMBL8775297 0.79 KDM4E (0.56) KDM4EMAPK1HIF1AALDH1A1EPHX1
SCHEMBL59429 0.79 KDM4E (0.56) KDM4EMAPK1HIF1AALDH1A1EPHX1
SCHEMBL8775294 0.79 KDM4E (0.56) KDM4EMAPK1HIF1AALDH1A1EPHX1
SCHEMBL8775499 0.79 KDM4E (0.56) KDM4EMAPK1HIF1AALDH1A1EPHX1
SCHEMBL8775285 0.79 KDM4E (0.56) KDM4EMAPK1HIF1AALDH1A1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107698755-A A kind of cationic polymer and its preparation method and application 四川大学 2018-02-16 CN disclosed