SCHEMBL29324074

SCHEMBL29324074

CCCCC(=O)NCc1cn(CCOC)nn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.45
GBA1 P04062 7/20 0.44
GLS O94925 2/20 0.43
DGAT1 O75907 4/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
NCOR2 Q9Y618 1/20 0.40

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
SCHEMBL19535085 0.85 GBA1 (0.53) GBA1
SCHEMBL24380517 0.84 GBA1 (0.55) GBA1HDAC1HDAC3HDAC4HDAC7
SCHEMBL29324043 0.82 NOTUM (0.45) CNR2GBA1GLSDGAT1
SCHEMBL24380526 0.80 EPHX2 (0.49) GBA1
SCHEMBL24096089 0.80 EPHX2 (0.49) GBA1
SCHEMBL24380509 0.79 GBA1 (0.53) GBA1HDAC1HDAC3HDAC4HDAC7
SCHEMBL21286187 0.79 GBA1 (0.47) GBA1HDAC1HDAC3HDAC4HDAC7
SCHEMBL26721202 0.78 GBA1 (0.48) GBA1GLSHDAC1HDAC3HDAC4
SCHEMBL22083577 0.77 DRD2 (0.44) GBA1HDAC1
SCHEMBL21424267 0.77 EPHX2 (0.48) CNR2GBA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024149845-A1 METHODS FOR CELL SURFACE REMODELING NANTES UNIVERSITÉ (FR) 2024-07-18 WO disclosed
WO-2024149844-A1 CHEMICALLY-MODIFIED ADENO-ASSOCIATED VIRUS NANTES UNIVERSITÉ (FR) 2024-07-18 WO disclosed