SCHEMBL27420747

SCHEMBL27420747

CCOC(=O)C1NC(=O)C(NC(=O)OCC2c3ccccc3-c3ccccc32)C(CCN)CCC1CCN

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.42
▸ XIAP P98170 2/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ TLR2 O60603 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CASP3 P42574 1/20 0.34

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
SCHEMBL27420844 0.96 KMT2A (0.41) KMT2AXIAPEPHX2TLR2TDP1
SCHEMBL27420738 0.92 KMT2A (0.39) KMT2AXIAPTDP1CYP1A2CYP2C19
SCHEMBL27420809 0.89 KMT2A (0.38) KMT2ATDP1CYP1A2CYP2C19
SCHEMBL27420878 0.89 KMT2A (0.38) KMT2ATDP1
SCHEMBL27420760 0.88 KMT2A (0.41) KMT2AEPHX2TDP1CYP1A2TSHR
SCHEMBL27420775 0.88 KMT2A (0.41) KMT2AEPHX2TLR2TDP1CYP1A2
SCHEMBL27420721 0.88 KMT2A (0.35) KMT2AEPHX2TDP1
SCHEMBL27420855 0.87 NAAA (0.42) KMT2AEPHX2TLR2TDP1CYP1A2
SCHEMBL27420817 0.82 KMT2A (0.42) KMT2AEPHX2TLR2TDP1CASP3
SCHEMBL27421425 0.73 KMT2A (0.38) KMT2AEPHX2TLR2TDP1CASP3

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-2024092256-A2 PEPTIDE-ANTISENSE OLIGONUCLEOTIDES AND THEIR USE FOR TREATMENT OF NEURODEGENERATIVE DISORDERS EISAI R&D MANAGEMENT CO., LTD. (JP) 2024-05-02 — — WO disclosed
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