SCHEMBL28307236

SCHEMBL28307236

NC(=O)C(N)(O)CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.47
GRM3 Q14832 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HIF1A Q16665 1/20 0.46
KEAP1 Q14145 1/20 0.45
LMNA P02545 1/20 0.44
SLC13A5 Q86YT5 1/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
MAPK1 P28482 1/20 0.42
ADRA1A P35348 1/20 0.42
HDAC4 P56524 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42

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
SCHEMBL8219953 0.86 GRM2 (0.53) GRM2GRM3SMN1; SMN2HIF1AKEAP1
SCHEMBL11088109 0.86 GRM2 (0.53) GRM2GRM3SMN1; SMN2HIF1AKEAP1
SCHEMBL7441576 0.86 GRM2 (0.53) GRM2GRM3SMN1; SMN2HIF1AKEAP1
SCHEMBL20049736 0.80 SMN1; SMN2 (0.59) SMN1; SMN2HIF1ATAAR1MAPTPLA2G10
SCHEMBL9190217 0.79 GRM2 (0.46) GRM2GRM3SMN1; SMN2HIF1AKEAP1
SCHEMBL27957913 0.79 AR (0.47) GRM2GRM3SMN1; SMN2KEAP1LMNA
SCHEMBL6344201 0.79 SRC (0.45) GRM2GRM3SMN1; SMN2HIF1ALMNA
SCHEMBL6341497 0.79 SRC (0.45) GRM2GRM3SMN1; SMN2HIF1ALMNA
SCHEMBL6803588 0.78 HDAC3 (0.50) GRM2GRM3SMN1; SMN2HIF1AKEAP1
SCHEMBL28681602 0.77 SMN1; SMN2 (0.48) GRM2GRM3SMN1; SMN2HIF1AKEAP1

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
CN-110023304-A Calpain regulator and its therapeutical uses 布莱德治疗公司 2019-07-16 CN disclosed