SCHEMBL25833496

SCHEMBL25833496

CCCN(CCC)C(=O)C12CC3CC(CC(Br)(C3)C1)C2

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.40
DPP4 P27487 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL25833503 0.79 GAA (0.50) GAANPSR1MEN1KMT2ALMNA
SCHEMBL5567730 0.75 GAA (0.78) GAANPSR1MEN1KMT2ALMNA
SCHEMBL5806269 0.71 LMNA (0.46) GAANPSR1MEN1KMT2AL3MBTL1
SCHEMBL131414 0.71 L3MBTL1 (0.50) GAAMEN1KMT2AL3MBTL1LMNA
SCHEMBL4524325 0.70 LMNA (0.49) NPSR1MEN1KMT2AL3MBTL1LMNA
SCHEMBL5569071 0.70 GAA (0.69) GAANPSR1MEN1KMT2AL3MBTL1
SCHEMBL5811955 0.70 LMNA (0.44) MEN1KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL17702628 0.68 GAA (0.42) GAALMNADPP4ALDH1A1TSHR
SCHEMBL6140108 0.68 GAA (0.67) GAAMEN1KMT2ALMNADPP4
SCHEMBL17702630 0.67 HSD11B1 (0.54) GAAMEN1KMT2ALMNAALDH1A1

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-2023135425-A1 INHIBITORS OF TRANSGLUTAMINASE ASTON UNIVERSITY (GB) 2023-07-20 WO disclosed