SCHEMBL5794590

SCHEMBL5794590

CC(C)(C)NCCCCCNC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
POLB P06746 1/20 0.42
ADRA1A P35348 1/20 0.41
TP53BP1 Q12888 4/20 0.41
EPHX1 P07099 6/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 1/20 0.40
PRMT1 Q99873 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
SCHEMBL27977111 1.00 KDM4E (0.44) KDM4EMAPK1HIF1APOLBADRA1A
SCHEMBL5791843 0.98 POLB (0.44) KDM4EMAPK1HIF1APOLBADRA1A
SCHEMBL5794897 0.93 TP53BP1 (0.45) KDM4EMAPK1HIF1APOLBADRA1A
SCHEMBL354240 0.84 CYP2D6 (0.37) KDM4EPOLBTP53BP1MEN1KMT2A
SCHEMBL19750417 0.83 KDM4E (0.70) KDM4EMAPK1HIF1APOLBADRA1A
SCHEMBL18346903 0.83 KDM4E (0.70) KDM4EMAPK1HIF1APOLBADRA1A
SCHEMBL23975102 0.81 MEN1 (0.48) KDM4EMAPK1HIF1APOLBTP53BP1
SCHEMBL5569558 0.81 KDM4E (0.55) KDM4EMAPK1HIF1APOLBADRA1A
SCHEMBL453216 0.81 KDM4E (0.55) KDM4EMAPK1HIF1APOLBADRA1A
SCHEMBL20836564 0.81 KDM4E (0.55) KDM4EMAPK1HIF1APOLBADRA1A

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-2006027211-A1 2,4-SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-03-16 WO disclosed