SCHEMBL29952159

SCHEMBL29952159

CC(C)(C)OC(=O)NC1CN(c2ccc(C=O)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EPHX2 P34913 1/20 0.41
CTSK P43235 2/20 0.41
PDE10A Q9Y233 1/20 0.41
BTK Q06187 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
NAMPT P43490 1/20 0.40
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
MAP4K4 O95819 2/20 0.39
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL12694575 0.90 PIM1 (0.52) PIM1PIM3PIM2KMT2AL3MBTL1
SCHEMBL29951880 0.90 PIM1 (0.52) PIM1PIM3PIM2KMT2AL3MBTL1
SCHEMBL31073157 0.87 CKS1B (0.49) PIM1PIM3PIM2KMT2AL3MBTL1
SCHEMBL29957145 0.85 KMT2A (0.42) PIM1PIM3PIM2KMT2AL3MBTL1
SCHEMBL31142648 0.85 EPHX2 (0.44) PIM1PIM3PIM2KMT2AL3MBTL1
SCHEMBL31142639 0.85 EPHX2 (0.44) PIM1PIM3PIM2KMT2AL3MBTL1
SCHEMBL29840412 0.84 NPC1 (0.44) PIM1PIM3PIM2KMT2AL3MBTL1
SCHEMBL20806445 0.83 KMT2A (0.52) PIM1PIM3PIM2KMT2AL3MBTL1
SCHEMBL30932001 0.81 CTSK (0.43) PIM1PIM3PIM2KMT2AL3MBTL1
SCHEMBL17315459 0.80 CA2 (0.51) 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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed