SCHEMBL29952957

SCHEMBL29952957

O=CC1CCCN(CC(=O)NCc2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
HPGD P15428 1/20 0.57
GAA P10253 1/20 0.56
USP2 O75604 1/20 0.54
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 1/20 0.49
MDM2 Q00987 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL29956888 0.85 HTT (0.71) HTTGAAUSP2KMT2AMEN1
SCHEMBL15330891 0.82 ALDH1A1 (0.63) HTTGAAKMT2AMEN1NPSR1
SCHEMBL2559638 0.81 ALDH1A1 (0.53) HPGDUSP2KMT2AMEN1ALDH1A1
SCHEMBL2562910 0.81 ALDH1A1 (0.54) HTTHPGDGAAUSP2KMT2A
SCHEMBL6192050 0.79 KMT2A (0.78) HTTGAAUSP2KMT2AMEN1
SCHEMBL27711029 0.78 HPGD (0.43) HTTHPGDKMT2AMEN1ALDH1A1
SCHEMBL30996750 0.77 CYP2D6 (0.60) HPGDALDH1A1
SCHEMBL1536071 0.77 CYP2D6 (0.60) HPGDALDH1A1
SCHEMBL3844592 0.77 HTT (0.79) HTTGAAUSP2KMT2AMEN1
SCHEMBL29957137 0.77 KDM4E (0.42) HPGDKMT2AMEN1NPC1RAB9A

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed