SCHEMBL14865406

SCHEMBL14865406

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
TGFBR1 P36897 1/20 0.32
PAOX Q6QHF9 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL14865435 0.88 TGFBR1 (0.33) TGFBR1
SCHEMBL19998248 0.82 KDM4E (0.37) KDM4EMAPK1HIF1AKEAP1NFE2L2
SCHEMBL16803277 0.82 KDM4E (0.37) KDM4EMAPK1HIF1AKEAP1NFE2L2
SCHEMBL907569 0.81 KDM4E (0.52) KDM4EMAPK1HIF1ATGFBR1PAOX
SCHEMBL632876 0.81 KDM4E (0.46) KDM4EMAPK1HIF1ATGFBR1PAOX
SCHEMBL59429 0.79 KDM4E (0.56) KDM4EMAPK1HIF1APAOXMEN1
SCHEMBL8775499 0.79 KDM4E (0.56) KDM4EMAPK1HIF1APAOXMEN1
SCHEMBL16309325 0.79 KDM4E (0.44) KDM4EMAPK1HIF1ATGFBR1PAOX
SCHEMBL8775297 0.79 KDM4E (0.56) KDM4EMAPK1HIF1APAOXMEN1
SCHEMBL8775294 0.79 KDM4E (0.56) KDM4EMAPK1HIF1APAOXMEN1

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
EP-2468715-B1 Novel compound and method for preparing the same FUJIFILM CORP (JP) 2013-04-17 EP disclosed