SCHEMBL28626933

SCHEMBL28626933

C[C@H](OC(N)=O)C(=O)Cn1cc(C(N)=O)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.43
CA5A P35218 1/20 0.43
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
SMYD3 Q9H7B4 1/20 0.36
GLA P06280 1/20 0.35
GPR88 Q9GZN0 1/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SRC P12931 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL28626936 1.00 SCD (0.43) SCDCA5AMAPK1MEN1TSHR
SCHEMBL17275479 0.82 SCD (0.47) SCDCA5AMAPK1MEN1TSHR
SCHEMBL17275482 0.82 SCD (0.47) SCDCA5AMAPK1MEN1TSHR
SCHEMBL17275464 0.77 SCD (0.42) SCDCA5AMAPK1MEN1TSHR
SCHEMBL17282916 0.74 SCD (0.38) SCDCA5AMAPK1MEN1TSHR
SCHEMBL18680932 0.72 SCD (0.54) SCDCA5AMAPK1SMYD3GLA
SCHEMBL29889259 0.69 SCD (0.48) SCDCA5ASMYD3ALDH1A1LMNA
SCHEMBL10642640 0.69 SCD (0.54) SCDCA5ASMYD3GPR88ALDH1A1
SCHEMBL18680934 0.68 SCD (0.50) SCDCA5ASMYD3GPR88ALDH1A1
SCHEMBL23675961 0.67 MAPK1 (0.37) SCDCA5AMAPK1MEN1TSHR

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-106661084-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2021-08-31 CN disclosed