SCHEMBL31145003

SCHEMBL31145003

CN/C(=C\C(=O)c1ccccc1)SC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
NFE2L2 Q16236 1/20 0.50
ALDH1A1 P00352 6/20 0.48
MAPK1 P28482 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 6/20 0.47
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
GAA P10253 2/20 0.47
THRB P10828 1/20 0.47
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC3 O15379 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
AKT1 P31749 1/20 0.42
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL7986877 1.00 MEN1 (0.65) MEN1KMT2ANFE2L2ALDH1A1MAPK1
SCHEMBL31144977 0.84 MEN1 (0.62) MEN1KMT2ANFE2L2ALDH1A1MAPK1
SCHEMBL31144971 0.84 MEN1 (0.62) MEN1KMT2ANFE2L2ALDH1A1MAPK1
SCHEMBL11574417 0.83 MEN1 (0.51) MEN1KMT2ANFE2L2ALDH1A1MAPK1
SCHEMBL5931233 0.81 KMT2A (0.50) MEN1KMT2ANFE2L2ALDH1A1MAPK1
SCHEMBL5931234 0.81 KMT2A (0.50) MEN1KMT2ANFE2L2ALDH1A1MAPK1
SCHEMBL4971785 0.81 MAPT (0.56) MEN1KMT2AALDH1A1MAPK1MAPT
SCHEMBL2688974 0.81 MAPT (0.56) MEN1KMT2AALDH1A1MAPK1MAPT
SCHEMBL5931364 0.79 MEN1 (1.00) MEN1KMT2ANFE2L2ALDH1A1MAPK1
SCHEMBL17367885 0.78 KMT2A (0.54) MEN1KMT2ANFE2L2ALDH1A1MAPK1

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-2024175804-A1 NUCLEAR TRANSPORT MODULATORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-08-29 WO disclosed