SCHEMBL28667446

SCHEMBL28667446

NC1(C(=O)Nc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 2/20 0.50
TP53 P04637 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
EPHX1 P07099 1/20 0.50
EPHX2 P34913 1/20 0.50
CDK9 P50750 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
ALDH1A1 P00352 1/20 0.48
SLC6A2 P23975 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
HSD17B10 Q99714 2/20 0.47
NAPRT Q6XQN6 1/20 0.47
GAA P10253 3/20 0.46
MAPT P10636 1/20 0.46
GFER P55789 1/20 0.46
FAAH O00519 1/20 0.45
LMNA P02545 2/20 0.45

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
SCHEMBL25383436 0.92 MEN1 (0.47) SMN1; SMN2TSHRTP53MEN1KMT2A
SCHEMBL28674194 0.92 FAAH (0.50) SMN1; SMN2TSHRTP53MEN1KMT2A
SCHEMBL28668151 0.91 FAAH (0.52) SMN1; SMN2TSHRTP53MEN1KMT2A
SCHEMBL14062179 0.86 TSHR (0.45) SMN1; SMN2TSHRTP53MEN1KMT2A
SCHEMBL24451230 0.81 ALDH1A1 (0.55) SMN1; SMN2MEN1KMT2AALDH1A1GAA
SCHEMBL9304492 0.79 TSHR (0.54) SMN1; SMN2TSHRTP53MEN1KMT2A
SCHEMBL8176621 0.79 EPHX2 (0.50) SMN1; SMN2TSHRTP53MEN1KMT2A
SCHEMBL25408547 0.79 HTT (0.59) SMN1; SMN2TP53MEN1KMT2AEPHX2
SCHEMBL31435464 0.79 HTT (0.59) SMN1; SMN2TP53MEN1KMT2AEPHX2
SCHEMBL307975 0.77 SPHK1 (0.55) SMN1; SMN2TSHRTP53MEN1KMT2A

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