SCHEMBL29022331

SCHEMBL29022331

CC(C)(C)OC(=O)N1CCOCC1c1nnn[nH]1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 5/20 0.36
RECQL P46063 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HTT P42858 1/20 0.32
PIK3R1 P27986 2/20 0.32
PIK3CA P42336 2/20 0.32

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
SCHEMBL29022329 1.00 USP2 (0.40) USP2SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL1357634 0.83 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1L3MBTL1TSHR
SCHEMBL1357636 0.83 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1L3MBTL1TSHR
SCHEMBL5485878 0.81 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1L3MBTL1TSHR
SCHEMBL27649003 0.79 USP2 (0.40) USP2SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL29022267 0.78 USP2 (0.39) USP2SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL29022271 0.78 USP2 (0.39) USP2SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL29022350 0.77 USP2 (0.38) USP2SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL29022352 0.77 USP2 (0.38) USP2SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL29022283 0.75 ALDH1A1 (0.40) USP2SMN1; SMN2ALDH1A1KMT2AMEN1

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-107793409-B Dihydropyrimidine compound and application thereof in medicine 广东东阳光药业有限公司 2022-09-27 CN disclosed