SCHEMBL29530623

SCHEMBL29530623

N#CCC(=O)N1CC(=O)Nc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.68
CASP2 P42575 1/20 0.68
KMT2A Q03164 3/20 0.62
ALDH1A1 P00352 5/20 0.58
KDM4E B2RXH2 2/20 0.58
HTT P42858 2/20 0.58
RXFP1 Q9HBX9 2/20 0.56
GAA P10253 2/20 0.56
LMNA P02545 2/20 0.56
PKM P14618 1/20 0.56
MEN1 O00255 2/20 0.56
NPC1 O15118 1/20 0.54
MAPK1 P28482 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SHMT2 P34897 1/20 0.54
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL24335153 1.00 CASP3 (0.68) CASP3CASP2KMT2AALDH1A1KDM4E
SCHEMBL29580124 0.86 CASP3 (0.65) CASP3CASP2KMT2AALDH1A1KDM4E
SCHEMBL24335162 0.86 CASP3 (0.65) CASP3CASP2KMT2AALDH1A1KDM4E
SCHEMBL25430532 0.82 CASP3 (0.76) CASP3CASP2KMT2AALDH1A1KDM4E
SCHEMBL11035331 0.81 CASP3 (1.00) CASP3CASP2KMT2AALDH1A1KDM4E
SCHEMBL24335274 0.80 CASP3 (0.72) CASP3CASP2KMT2AALDH1A1KDM4E
SCHEMBL30516491 0.80 CASP3 (0.72) CASP3CASP2KMT2AALDH1A1KDM4E
SCHEMBL24335866 0.80 CASP3 (0.72) CASP3CASP2KMT2AALDH1A1KDM4E
SCHEMBL24335146 0.80 CASP3 (0.72) CASP3CASP2KMT2AALDH1A1KDM4E
SCHEMBL29064837 0.79 CASP3 (0.70) CASP3CASP2KMT2AALDH1A1KDM4E

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
CN-116528867-A Compounds for the treatment of Alzheimer's disease 艾伯塔大学理事会 2023-08-01 CN disclosed