SCHEMBL28264100

SCHEMBL28264100

CN(C(=O)C1CCN(OC(=O)C(C)(C)C)CC1)c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.60
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
MLNR O43193 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38
STS P08842 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL28262980 0.84 PDK2 (0.44) PDK2MLNRKMT2ALMNASMN1; SMN2
SCHEMBL22624637 0.80 PDK2 (0.62) PDK2HSD17B1HSD17B2MLNRLMNA
SCHEMBL3916812 0.79 PDK2 (0.59) PDK2HSD17B1HSD17B2MLNR
SCHEMBL28021721 0.79 MGLL (0.57) MEN1KMT2ALMNAL3MBTL1
SCHEMBL19520529 0.78 PDK2 (0.66) PDK2HSD17B1HSD17B2MLNRMEN1
SCHEMBL6424264 0.76 PDK2 (0.56) PDK2HSD17B1HSD17B2MEN1KMT2A
SCHEMBL28033000 0.76 L3MBTL1 (0.60) SMN1; SMN2L3MBTL1
SCHEMBL27594938 0.76 DRD2 (0.48)
SCHEMBL27730541 0.76 POLB (0.37) PDK2LMNASMN1; SMN2
SCHEMBL5086341 0.75 CNR2 (0.56) PDK2HSD17B1HSD17B2MEN1KMT2A

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-109071490-A Acyclic derivatives 默克专利股份公司 2018-12-21 CN disclosed