SCHEMBL21393696

SCHEMBL21393696

C=CC/C=N\c1c(C(C)=O)c(C)nn1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ABCB1 P08183 2/20 0.31
CSF1R P07333 1/20 0.30
FGFR1 P11362 1/20 0.30
FLT1 P17948 1/20 0.30
KDR P35968 1/20 0.30
CSNK1A1 P48729 1/20 0.30
CDK8 P49336 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
CDK5 Q00535 1/20 0.30
PRKCQ Q04759 1/20 0.30
LRRK2 Q5S007 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
DYRK1B Q9Y463 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
SCHEMBL335081 0.65 KDM4E (0.60) KDM4EALDH1A1KMT2AHSD17B10L3MBTL1
SCHEMBL17290828 0.63 KDM4E (0.44) KDM4EALDH1A1KMT2AHSD17B10L3MBTL1
SCHEMBL14269336 0.62 KDM4E (0.43) KDM4EALDH1A1KMT2AHSD17B10L3MBTL1
SCHEMBL8261357 0.62 L3MBTL1 (0.56) KDM4EALDH1A1KMT2AL3MBTL1
SCHEMBL15559856 0.62 KDM4E (0.43) KDM4EALDH1A1KMT2AHSD17B10L3MBTL1
SCHEMBL21393820 0.60 GAA (0.30)
SCHEMBL21393786 0.59 POLB (0.31) KDM4EALDH1A1HSD17B10
SCHEMBL21393598 0.59 PDE7A (0.30)
SCHEMBL23123196 0.59 KMT2A (0.46) KDM4EALDH1A1KMT2AL3MBTL1
SCHEMBL21393891 0.57

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-2019182925-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-26 WO disclosed