SCHEMBL25610046

SCHEMBL25610046

CCCN(CCC)c1ccc2cc(-c3ccc(/C=C(\C#N)S(=O)(=O)NCCCOC)n3C)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 2/20 0.33
SLC16A1 P53985 2/20 0.33
ALDH1A1 P00352 5/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
NPC1 O15118 2/20 0.31
MAPT P10636 2/20 0.31
MAPK1 P28482 2/20 0.31
RAB9A P51151 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
SCN9A Q15858 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.30
HIF1A Q16665 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
SCHEMBL18220181 0.95 SLC16A3 (0.33) SLC16A3SLC16A1ALDH1A1MEN1KMT2A
SCHEMBL18220183 0.89 MAPT (0.33) ALDH1A1L3MBTL1MEN1KMT2ANPC1
SCHEMBL25610045 0.86 ALDH1A1 (0.47) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL18220193 0.85 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ANPC1MAPT
SCHEMBL18220209 0.85 PGR (0.31) ALDH1A1MEN1KMT2ANPC1MAPT
SCHEMBL18221386 0.83 PGR (0.30)
SCHEMBL23134990 0.83 MEN1 (0.36) SLC16A3SLC16A1ALDH1A1MEN1KMT2A
SCHEMBL25607450 0.83 ALDH1A1 (0.40) SLC16A3SLC16A1ALDH1A1L3MBTL1MEN1
SCHEMBL19293946 0.83 MEN1 (0.32) ALDH1A1MEN1KMT2ANPC1MAPT
SCHEMBL18220179 0.82 LMNA (0.46) ALDH1A1L3MBTL1MEN1KMT2ANPC1

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
EP-3119761-B1 AMYLOID TARGETING AGENTS AND METHODS OF USING THE SAME AMYDIS DIAGNOSTICS INC (US) 2023-06-07 EP disclosed