SCHEMBL24890846

SCHEMBL24890846

COC(=O)c1ccc(CN2CC(CNC(=O)OC(C)(C)C)OC2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
SIRT1 Q96EB6 2/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
FAAH O00519 1/20 0.41
GRM2 Q14416 4/20 0.40
RORC P51449 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL24890849 0.80 SIRT1 (0.56) HDAC1HDAC6SIRT1SIRT2FAAH
SCHEMBL3851252 0.77 GRM2 (0.63) SIRT1GRM2
SCHEMBL2853554 0.75 GRM2 (0.69) SIRT1GRM2
SCHEMBL24073240 0.72 HDAC1 (0.52) HDAC1HDAC6SIRT1SIRT2KMT2A
SCHEMBL17107915 0.72 GAA (0.34) RORC
SCHEMBL1206337 0.71 NAMPT (0.55) HDAC1MEN1KMT2ANPC1LMNA
SCHEMBL2901624 0.71 FADS1 (0.53) SIRT1GRM2MEN1KMT2AMAPK1
SCHEMBL14197146 0.70 MAOB (0.46) LMNA
SCHEMBL31165348 0.70 NPFFR1 (0.49) KMT2A
SCHEMBL15647055 0.69 LOXL2 (0.49) HDAC1HDAC6MEN1KMT2AKDM4E

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-2023284651-A1 N-(2-AMINOPHENYL)BENZAMIDE COMPOUND AND APPLICATION THEREOF 南京明德新药研发有限公司 2023-01-19 WO disclosed