SCHEMBL28043191

SCHEMBL28043191

CC(C)(C)C(=O)ON1CCCC(C#N)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
DPP4 P27487 10/20 0.35
DPP8 Q6V1X1 2/20 0.35
DPP9 Q86TI2 2/20 0.35
CTSK P43235 3/20 0.34
HSD11B1 P28845 1/20 0.31
KDM2B Q8NHM5 1/20 0.31
HPGD P15428 1/20 0.31
PREP P48147 1/20 0.31
ENO1 P06733 1/20 0.30

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
SCHEMBL28282832 0.92 CTSK (0.36) MEN1ALDH1A1MAPTKMT2ADPP4
SCHEMBL28259769 0.92 CTSK (0.36) MEN1ALDH1A1MAPTKMT2ADPP4
SCHEMBL27670177 0.85 MEN1 (0.34) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL2377044 0.85 DPP4 (0.32) MEN1ALDH1A1MAPTKMT2ADPP4
SCHEMBL2394609 0.85 DPP4 (0.32) MEN1ALDH1A1MAPTKMT2ADPP4
SCHEMBL27997009 0.82 CTSK (0.35) MEN1ALDH1A1MAPTKMT2ADPP4
SCHEMBL28197524 0.78 MEN1 (0.40) MEN1ALDH1A1MAPTKMT2ADPP4
SCHEMBL18166955 0.78 CHRM2 (0.33) MEN1ALDH1A1MAPTKMT2AHSD11B1
SCHEMBL27698740 0.78 ALDH1A1 (0.40) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL2379450 0.76 CTSK (0.31) CTSK

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-105163738-A MK2 inhibitors and uses thereof CELGENE AVILOMICS RES INC 2015-12-16 CN disclosed