SCHEMBL28674191

SCHEMBL28674191

NC(=O)OC1(C(=O)Nc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
FAAH O00519 1/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 1/20 0.43
GFER P55789 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 1/20 0.43
TSHR P16473 4/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
TP53 P04637 2/20 0.42
EPHX1 P07099 1/20 0.42
EPHX2 P34913 1/20 0.42
CDK9 P50750 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
SLC6A2 P23975 1/20 0.42
SPHK1 Q9NYA1 6/20 0.42
HSD17B10 Q99714 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
SCHEMBL28674177 0.94 FAAH (0.48) MEN1KMT2AFAAHGAAMAPT
SCHEMBL28693808 0.94 FAAH (0.45) MEN1KMT2AFAAHGAAMAPT
SCHEMBL28920263 0.92 FAAH (0.50) MEN1KMT2AFAAHGAAMAPT
SCHEMBL7179659 0.83 SLC6A2 (0.46) MEN1KMT2AFAAHGAAMAPT
SCHEMBL13731072 0.78 KDM1A (0.37) GAASMN1; SMN2RAB9ATSHRCYP2C19
SCHEMBL28613127 0.77 TRPV1 (0.49) GAAMAPTSMN1; SMN2RAB9ACYP2C19
SCHEMBL28613585 0.77 HDAC1 (0.49) MEN1KMT2AFAAHSMN1; SMN2RAB9A
SCHEMBL5343600 0.75 THRB (0.48) MEN1KMT2AFAAHMAPTSMN1; SMN2
SCHEMBL307975 0.74 SPHK1 (0.55) MEN1KMT2AFAAHGAAMAPT
SCHEMBL28667446 0.73 SMN1; SMN2 (0.50) MEN1KMT2AFAAHGAAMAPT

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-113896712-B Diamide compound containing cyclic amino acid 华东理工大学 2024-04-09 CN disclosed
CN-113896712-A Diamide compound containing cyclic amino acid 华东理工大学 2022-01-07 CN disclosed