SCHEMBL25009804

SCHEMBL25009804

C=C(CN)NCCCCNC

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.37
PAOX Q6QHF9 3/20 0.34
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
DDAH1 O94760 1/20 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
SCHEMBL7487178 0.82 EPHX1 (0.46) EPHX1
SCHEMBL24063877 0.77 EPHX1 (0.48) EPHX1PAOXKDM4EMAPK1HIF1A
SCHEMBL26479933 0.74 PRMT1 (0.33) PAOX
SCHEMBL25009520 0.74 DDAH1 (0.33) DDAH1
SCHEMBL25969203 0.74 EPHX1 (0.35) EPHX1KDM4EMAPK1HIF1A
SCHEMBL22623220 0.72 EPHX1 (0.34) EPHX1
SCHEMBL23587972 0.72 ZDHHC20 (0.32) PAOXDDAH1
SCHEMBL23597940 0.72 ZDHHC20 (0.36) PAOXDDAH1
SCHEMBL25720915 0.72 EPHX1 (0.38) EPHX1KDM4EMAPK1HIF1A
SCHEMBL25051813 0.71 EPHX1 (0.46) EPHX1PAOXKDM4EMAPK1HIF1A

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
WO-2023010200-A1 THERAPEUTIC COORDINATION POLYMERS CONTAINING PHARMACEUTICALS FOR DRUG RELEASE APPLICATIONS UNIVERSITY OF WINDSOR (CA) 2023-02-09 WO disclosed