SCHEMBL28647253

SCHEMBL28647253

CNC(=O)C1CCN(C(=O)C(C)Cl)C1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
BCHE P06276 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HSD17B10 Q99714 1/20 0.38
NOTUM Q6P988 1/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
PDK2 Q15119 1/20 0.37
GAA P10253 1/20 0.36
KDM5A P29375 2/20 0.35
ATM Q13315 1/20 0.34

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
SCHEMBL28644292 0.90 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ABCHESMN1; SMN2
SCHEMBL28663998 0.86 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ABCHESMN1; SMN2
SCHEMBL23011862 0.78 SMN1; SMN2 (0.44) ALDH1A1MEN1KMT2ABCHESMN1; SMN2
SCHEMBL28231420 0.78 SMN1; SMN2 (0.48) ALDH1A1MEN1KMT2ABCHESMN1; SMN2
SCHEMBL30606195 0.78 POLB (0.50) ALDH1A1MEN1KMT2ABCHESMN1; SMN2
SCHEMBL21424047 0.78 SMN1; SMN2 (0.44) ALDH1A1MEN1KMT2ABCHESMN1; SMN2
SCHEMBL29725489 0.77 SMN1; SMN2 (0.57) ALDH1A1MEN1KMT2ABCHESMN1; SMN2
SCHEMBL21452571 0.76 BCHE (0.41) ALDH1A1MEN1KMT2ABCHESMN1; SMN2
SCHEMBL30606201 0.76 SMN1; SMN2 (0.49) ALDH1A1BCHESMN1; SMN2PDK2
SCHEMBL19176777 0.76 BCHE (0.41) ALDH1A1MEN1KMT2ABCHESMN1; SMN2

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-113498342-A Compounds involved in synergistic binding and uses thereof 锐新医药公司 2021-10-12 CN claimed
CN-113498342-A Compounds involved in synergistic binding and uses thereof 锐新医药公司 2021-10-12 CN disclosed