SCHEMBL28664381

SCHEMBL28664381

OCc1ccccc1-n1cc(-c2ccccn2)nn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.65
GSK3B P49841 1/20 0.65
MIF P14174 1/20 0.56
GRM5 P41594 1/20 0.46
NOTUM Q6P988 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
BCHE P06276 1/20 0.42
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40

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
SCHEMBL28661839 0.81 BCHE (0.65) MIFNOTUML3MBTL1BCHEHDAC1
SCHEMBL28644691 0.77 BCHE (0.56) FLT3GSK3BMIFNOTUMBCHE
SCHEMBL28647456 0.77 NOTUM (0.55) FLT3GSK3BNOTUMBCHE
SCHEMBL28642690 0.77 MIF (0.56) MIFBCHEHDAC3HDAC4HDAC1
SCHEMBL28661844 0.76 NOTUM (0.43) FLT3GSK3BNOTUML3MBTL1BCHE
SCHEMBL28642688 0.76 NOTUM (0.54) GRM5NOTUMBCHE
SCHEMBL28927757 0.76 BCHE (0.51) FLT3MIFNOTUMBCHEPOLB
SCHEMBL28645168 0.76 BCHE (0.51) FLT3GSK3BMIFNOTUMBCHE
SCHEMBL28645410 0.76 BCHE (0.51) FLT3GSK3BMIFNOTUMBCHE
SCHEMBL28639707 0.76 FLT3 (0.49) FLT3GSK3BNOTUMBCHEHDAC3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110423239-B 1, 3-oxazine 1,2, 3-triazole derivative and synthetic method and application thereof 昆明理工大学 2021-10-26 CN claimed
CN-110423239-B 1, 3-oxazine 1,2, 3-triazole derivative and synthetic method and application thereof 昆明理工大学 2021-10-26 CN disclosed