SCHEMBL29022338

SCHEMBL29022338

CC(C)(C)OC(=O)N1CCOC[C@H]1C1=NSCN1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MALT1 Q9UDY8 1/20 0.37
TSHR P16473 5/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
RECQL P46063 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 0.31
PIK3CA P42336 2/20 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
SCHEMBL29022352 0.74 USP2 (0.38) USP2SMN1; SMN2ALDH1A1MALT1TSHR
SCHEMBL29022350 0.74 USP2 (0.38) USP2SMN1; SMN2ALDH1A1MALT1TSHR
SCHEMBL29022331 0.73 USP2 (0.40) USP2SMN1; SMN2ALDH1A1MALT1TSHR
SCHEMBL29679482 0.73 GPR119 (0.46) USP2SMN1; SMN2ALDH1A1MALT1TSHR
SCHEMBL27649003 0.73 USP2 (0.40) USP2SMN1; SMN2ALDH1A1MALT1TSHR
SCHEMBL29022329 0.73 USP2 (0.40) USP2SMN1; SMN2ALDH1A1MALT1TSHR
SCHEMBL29022286 0.72 ALDH1A1 (0.40) USP2SMN1; SMN2ALDH1A1MALT1TSHR
SCHEMBL29022283 0.72 ALDH1A1 (0.40) USP2SMN1; SMN2ALDH1A1MALT1TSHR
SCHEMBL31646266 0.72 USP2 (0.39) USP2SMN1; SMN2ALDH1A1MALT1TSHR
SCHEMBL29022271 0.72 USP2 (0.39) USP2SMN1; SMN2ALDH1A1MALT1TSHR

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