SCHEMBL30656141

SCHEMBL30656141

O=C1CCCCCCCCCCN=NCC1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.58
TRIM33 Q9UPN9 2/20 0.58
ALDH1A1 P00352 1/20 0.58
NOS3 P29474 4/20 0.33
NOS1 P29475 4/20 0.33
NOS2 P35228 4/20 0.33

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
SCHEMBL26644594 1.00 TRIM24 (0.58) TRIM24TRIM33ALDH1A1NOS3NOS1
SCHEMBL28991505 0.82 TRIM24 (0.48) TRIM24TRIM33ALDH1A1NOS3NOS1
SCHEMBL28991608 0.82 TRIM24 (0.48) TRIM24TRIM33ALDH1A1NOS3NOS1
SCHEMBL29112970 0.82 TRIM24 (0.48) TRIM24TRIM33ALDH1A1NOS3NOS1
SCHEMBL25380098 0.76 TRIM24 (1.00) TRIM24TRIM33ALDH1A1
Cyclohexanone SCHEMBL713141 0.76
Cyclohexanone SCHEMBL3299 0.76
SCHEMBL1667004 0.76 TRIM24 (1.00) TRIM24TRIM33ALDH1A1
SCHEMBL112034 0.76 TRIM24 (1.00) TRIM24TRIM33ALDH1A1
Cycloheptanone SCHEMBL6077 0.76

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
WO-2023217201-A2 NOVEL PYRIMIDO-HETEROCYCLIC NOVEL COMPOUND SERVING AS WEE1 INHIBITOR AND APPLICATION THEREOF 杭州德睿智药科技有限公司 2023-11-16 WO disclosed