SCHEMBL25985689

SCHEMBL25985689

COC(=O)/C(N)=C1\CCCCN1N

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
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
SCHEMBL25985696 0.73 RECQL (0.36) ALDH1A1SMN1; SMN2
SCHEMBL13881363 0.70 GRIK1 (0.35) ALDH1A1TSHR
SCHEMBL14327030 0.58 ALDH1A1 (0.33) ALDH1A1
SCHEMBL261394 0.58 SMN1; SMN2 (0.43) L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL20573106 0.58 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL1278075 0.57
SCHEMBL25985624 0.57
SCHEMBL6356441 0.57 SLC6A2 (0.35) ALDH1A1SMN1; SMN2
SCHEMBL29138431 0.57 ALDH1A1 (0.39) ALDH1A1TSHRSMN1; SMN2
Urea SCHEMBL11495730 0.57 ALDH1A1 (0.47) ALDH1A1TSHR

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
EP-4252755-A2 THERAPEUTIC COMPOUNDS C4x Discovery Limited (GB) 2023-10-04 EP disclosed
EP-3870578-B1 THERAPEUTIC COMPOUNDS C4X DISCOVERY LTD (GB) 2023-08-16 EP disclosed