SCHEMBL31374701

SCHEMBL31374701

CNS(=O)(=O)NCC(=O)N[C@@H](CCCCN1C(=O)C=CC1=O)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.37
▸ TDP1 Q9NUW8 4/20 0.34
▸ ATM Q13315 2/20 0.34
▸ NPSR1 Q6W5P4 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ FOLH1 Q04609 1/20 0.33
▸ MGLL Q99685 4/20 0.32
▸ FAAH O00519 3/20 0.32
▸ PTGS1 P23219 7/20 0.32
▸ PTGS2 P35354 7/20 0.32
▸ MAPT P10636 2/20 0.32
▸ HSP90AA1 P07900 1/20 0.31
▸ TLR9 Q9NR96 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL31374736 0.85 FOLH1 (0.41) NPSR1FOLH1MGLLFAAHPTGS1
SCHEMBL22207235 0.83 AKT1 (0.45) AKT1TDP1ATMNPSR1MEN1
SCHEMBL22207234 0.83 AKT1 (0.45) AKT1TDP1ATMNPSR1MEN1
SCHEMBL28620369 0.82 AKT1 (0.41) AKT1TDP1ATMNPSR1MEN1
SCHEMBL28624848 0.82 AKT1 (0.41) AKT1TDP1ATMNPSR1MEN1
SCHEMBL31374703 0.81 FOLH1 (0.34) AKT1FOLH1PTGS1PTGS2
Trifluoroacetic Acid SCHEMBL22207652 0.77 AKT1 (0.43) AKT1TDP1ATMNPSR1MEN1
Trifluoroacetic Acid SCHEMBL22207651 0.77 AKT1 (0.43) AKT1TDP1ATMNPSR1MEN1
SCHEMBL18942764 0.75 AKT1 (0.52) AKT1TDP1ATMNPSR1MGLL
SCHEMBL23113662 0.75 AKT1 (0.48) AKT1MEN1KMT2AFOLH1PTGS1

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-113301920-B Complexes comprising a ligand, a spacer, a peptide linker and a biomolecule 安斯泰来制药株式会社 2025-01-14 — — CN disclosed
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