SCHEMBL29972719

SCHEMBL29972719

CCOC(=O)NCC#N.[O]

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
TSHR P16473 2/20 0.45
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
CTSK P43235 5/20 0.40
CTSS P25774 4/20 0.40
MCL1 Q07820 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
GLA P06280 1/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ACHE P22303 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL7523195 0.98
SCHEMBL9194193 0.79 KMT2A (0.47) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL30473390 0.78 ACHE (0.56) ALDH1A1ACHE
Acetonitrile SCHEMBL7518462 0.78 ALDH1A1 (0.38) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL9151982 0.77
SCHEMBL300057 0.77
SCHEMBL7521952 0.77
Water SCHEMBL27829822 0.77
SCHEMBL11273435 0.76 ACHE (0.48) KMT2AMEN1GLAACHE
SCHEMBL6446754 0.76 CTSS (0.40) KMT2AMEN1GAACTSKCTSS

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-115300640-A Novel linkers and their use for specific coupling of drugs and biomolecules 杭州多禧生物科技有限公司 2022-11-08 CN disclosed