SCHEMBL22695703

SCHEMBL22695703

CCc1cn(CCCC(C)=O)nn1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
GBA1 P04062 11/20 0.41
EP300 Q09472 3/20 0.40
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
GGPS1 O95749 2/20 0.39
FDPS P14324 2/20 0.39
DGAT1 O75907 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
SCHEMBL26944532 0.94 EPHX2 (0.50) EPHX2GBA1EP300
SCHEMBL16234065 0.90 CSNK2A1 (0.40) EPHX2GBA1HRH4HRH3GGPS1
SCHEMBL23221642 0.88 EPHX2 (0.50) EPHX2GBA1HRH4HRH3
SCHEMBL17776274 0.87 EPHX2 (0.46) EPHX2GBA1HRH4HRH3
SCHEMBL23974562 0.86 EPHX2 (0.43) EPHX2GBA1EP300HRH4HRH3
SCHEMBL17776313 0.84 EPHX2 (0.52) EPHX2GBA1EP300
SCHEMBL24469396 0.83 EPHX2 (0.41) EPHX2GBA1EP300HRH4HRH3
SCHEMBL23974561 0.83 GGPS1 (0.43) EPHX2HRH4HRH3GGPS1FDPS
SCHEMBL16903657 0.83 GGPS1 (0.44) EPHX2GBA1HRH4HRH3GGPS1
SCHEMBL18768800 0.83 EPHX2 (0.57) EPHX2GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023225336-A1 MET BCL-XL INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2023-11-23 WO disclosed
WO-2020236825-A2 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE NOVARTIS AG (CH) 2020-11-26 WO disclosed
WO-2020236817-A2 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE NOVARTIS AG (CH) 2020-11-26 WO disclosed