SCHEMBL24890849

SCHEMBL24890849

COC(=O)c1ccc(CN2CC(CN)OC2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.56
LOXL2 Q9Y4K0 1/20 0.49
GRM2 Q14416 6/20 0.46
FAAH O00519 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 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
SCHEMBL3851252 0.85 GRM2 (0.63) SIRT1GRM2
SCHEMBL2853554 0.82 GRM2 (0.69) SIRT1GRM2
SCHEMBL13359773 0.80 GRM2 (0.64) GRM2
SCHEMBL24890846 0.80 HDAC1 (0.48) SIRT1GRM2FAAHMEN1KMT2A
SCHEMBL24890867 0.80 GRM2 (0.69) GRM2NPC1RAB9ASMN1; SMN2
SCHEMBL2832784 0.78 GRM2 (0.54) SIRT1GRM2MAPK1
SCHEMBL2901624 0.78 FADS1 (0.53) SIRT1GRM2MEN1KMT2AMAPK1
SCHEMBL14687126 0.74 MAPK1 (0.51) SIRT1LOXL2GRM2FAAHKDM4E
SCHEMBL2414084 0.73 POLB (0.56) SIRT1LOXL2FAAHMEN1KMT2A
SCHEMBL20524383 0.73 GRM2 (0.64) SIRT1GRM2SIRT2

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