SCHEMBL31661322

SCHEMBL31661322

C/C=C/c1nc(NC(=O)OC(C)(C)C)sc1C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 10/20 0.46
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PI4KB Q9UBF8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL24735699 0.79 LCK (0.63) LCKALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL15186149 0.78 LCK (0.53) LCKCA1CA2PI4KBKDM4E
SCHEMBL31661298 0.74 LCK (0.46) LCKCA1CA2ALDH1A1PI4KB
SCHEMBL31661308 0.74 LCK (0.46) LCKCA1CA2ALDH1A1PI4KB
SCHEMBL5408019 0.72 LCK (0.46) LCKCA1CA2PI4KB
SCHEMBL31214308 0.71 TSHR (0.49) LCKALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL538349 0.71 LCK (0.63) LCKCA1CA2ALDH1A1PI4KB
SCHEMBL773470 0.70 LCK (0.66) LCKCA1CA2ALDH1A1SMN1; SMN2
SCHEMBL11103983 0.70 PI4KB (0.43) LCKCA1CA2PI4KBKDM4E
SCHEMBL25261549 0.70 LCK (0.53) LCKCA1CA2PI4KB

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-2025151517-A1 THIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS ASSOCIATED WITH MISSFOLDING OF ALPHA-SYNUCLEIN PROTEIN WAVEBREAK THERAPEUTICS LIMITED (US) 2025-07-17 WO disclosed