SCHEMBL29322303

SCHEMBL29322303

CCOC(=O)Cc1coc2c(N)cccc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
CHEK1 O14757 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
CDC25B P30305 4/20 0.41
KDM4E B2RXH2 1/20 0.40
AHR P35869 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOB P27338 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
SCHEMBL23115218 0.84 PKM (0.46) PKMALDH1A1HSD17B10SMN1; SMN2TP53
SCHEMBL23117246 0.84 PKM (0.46) PKMALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL6839194 0.83 PSMB5 (0.49) PKMALDH1A1SMN1; SMN2KDM4ETP53
SCHEMBL5473553 0.80 KDM4E (0.49) PKMALDH1A1SMN1; SMN2CDC25BKDM4E
SCHEMBL3135580 0.77 MAOB (0.56) PKMALDH1A1HSD17B10SMN1; SMN2TP53
SCHEMBL7825337 0.76 CHEK1 (0.44) PKMCHEK1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL28137286 0.75 CHEK1 (0.51) PKMCHEK1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL29321733 0.75 SMN1; SMN2 (0.52) PKMCHEK1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL3142760 0.75 ALDH1A1 (0.54) PKMCHEK1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL11224969 0.74 CHEK1 (0.50) PKMCHEK1ALDH1A1HSD17B10SMN1; SMN2

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
EP-4400499-A1 GLUTARIMIDE COMPOUND AND USE THEREOF Medshine Discovery Inc. (CN) 2024-07-17 EP disclosed