SCHEMBL31733296

SCHEMBL31733296

Cc1cccc2sc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
ATM Q13315 1/20 0.45
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
THRB P10828 1/20 0.44
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 4/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
PAX8 Q06710 1/20 0.42
HTT P42858 1/20 0.42
RAD52 P43351 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MITF O75030 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL2171106 1.00 MAPT (0.47) MAPTATMGAAMAPK1THRB
SCHEMBL23113073 0.86 PAX8 (0.40) MAPTATMGAAMAPK1THRB
SCHEMBL31733218 0.85 PAX8 (0.39) MAPTATMGAAMAPK1THRB
SCHEMBL23112951 0.85 PAX8 (0.39) MAPTATMGAAMAPK1THRB
SCHEMBL31005213 0.84 TP53 (0.39) MAPTGAATHRBRAB9AALDH1A1
SCHEMBL1557348 0.84 PAX8 (0.38) MAPTATMGAAMAPK1THRB
SCHEMBL31733034 0.84 PAX8 (0.38) MAPTATMGAAMAPK1THRB
SCHEMBL31733024 0.83 CYP1A2 (0.41) MAPTATMGAAMAPK1THRB
SCHEMBL31733187 0.81 BACE1 (0.36) MAPTATMGAAMAPK1THRB
SCHEMBL23673260 0.80 PAX8 (0.38) MAPTATMGAAMAPK1THRB

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-2025236100-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2025-11-20 WO disclosed