SCHEMBL3475294

SCHEMBL3475294

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.52
KDM4E B2RXH2 3/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.40
ADRA1A P35348 1/20 0.36
F13A1 P00488 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MTNR1A P48039 4/20 0.32
MTNR1B P49286 4/20 0.32
CYP1A2 P05177 1/20 0.32
NFKB1 P19838 1/20 0.32
MAOB P27338 1/20 0.32
MEN1 O00255 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL43340 0.86
Hydrochloric Acid SCHEMBL6045196 0.84
Ammonia Solution, Strong SCHEMBL9178426 0.84
Bromide SCHEMBL5490790 0.84
SCHEMBL29061039 0.84
SCHEMBL27643070 0.84
Acetic Acid SCHEMBL28175735 0.81 PAOX (0.60) PAOXKDM4EMAPK1HIF1ATSHR
Acetic Acid SCHEMBL538702 0.81 PAOX (0.60) PAOXKDM4EMAPK1HIF1ATSHR
Benzene SCHEMBL27940486 0.77 PAOX (0.56) PAOXKDM4EMAPK1HIF1ATSHR
Trifluoroacetic Acid SCHEMBL22578596 0.77 PAOX (0.50) PAOXKDM4EMAPK1HIF1ATSHR

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-2010032165-A2 PRODRUGS OF ARTEMISININ NORTH-WEST UNIVERSITY (ZA) 2010-03-25 WO disclosed