SCHEMBL30656386

SCHEMBL30656386

O=C1CCCCCCCCNNCC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.58
TRIM33 Q9UPN9 2/20 0.58
ALDH1A1 P00352 1/20 0.58
CRBN Q96SW2 2/20 0.40
FKBP5 Q13451 1/20 0.40
OR51E2 Q9H255 1/20 0.31
ALOX15 P16050 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL29697528 0.92 TRIM24 (0.61) TRIM24TRIM33ALDH1A1CRBNFKBP5
SCHEMBL29121518 0.90 TRIM24 (0.52) TRIM24TRIM33ALDH1A1CRBNFKBP5
SCHEMBL1463457 0.89
SCHEMBL583821 0.83
SCHEMBL31451830 0.82 TRIM24 (0.48) TRIM24TRIM33ALDH1A1CRBNFKBP5
SCHEMBL22319260 0.79 TRIM24 (0.58) TRIM24TRIM33ALDH1A1CRBNFKBP5
SCHEMBL22319288 0.79 TRIM24 (0.58) TRIM24TRIM33ALDH1A1CRBNFKBP5
SCHEMBL22319285 0.79 TRIM24 (0.58) TRIM24TRIM33ALDH1A1CRBNFKBP5
SCHEMBL12857131 0.79 TRIM24 (0.58) TRIM24TRIM33ALDH1A1CRBNFKBP5
SCHEMBL22319261 0.79 TRIM24 (0.58) TRIM24TRIM33ALDH1A1CRBNFKBP5

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-2024230807-A1 PYRIMIDO MACROHETEROCYCLIC COMPOUND AS WEE1-YES DUAL-TARGET INHIBITOR AND USE THEREOF 杭州德睿智药科技有限公司 2024-11-14 WO disclosed
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