SCHEMBL26548489

SCHEMBL26548489

CC(C)C(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C1CSc2c(F)c(F)c(c(F)c2F)SCC(NS)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LDHB P07195 1/20 0.48
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ FURIN P09958 1/20 0.39
▸ F12 P00748 12/20 0.39
▸ IL23R Q5VWK5 3/20 0.38
▸ KLKB1 P03952 1/20 0.38
▸ KEAP1 Q14145 1/20 0.38
▸ F11 P03951 1/20 0.37

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
SCHEMBL26550061 0.98 LDHB (0.46) LDHBHDAC3HDAC4HDAC1HDAC7
SCHEMBL26554831 0.97 LDHB (0.45) LDHBHDAC3HDAC4HDAC1HDAC7
SCHEMBL26549911 0.92 LDHB (0.44) LDHBHDAC3HDAC4HDAC1HDAC7
SCHEMBL26551718 0.90 LDHB (0.45) LDHBHDAC3HDAC4HDAC1HDAC7
SCHEMBL26549219 0.90 LDHB (0.39) LDHBF12KLKB1KEAP1
SCHEMBL26549320 0.90 LDHB (0.39) LDHBF12KLKB1KEAP1
SCHEMBL26548683 0.90 LDHB (0.39) LDHBF12KLKB1KEAP1
SCHEMBL27005370 0.90 LDHB (0.39) LDHBF12KLKB1KEAP1
SCHEMBL26549444 0.90 LDHB (0.39) LDHBF12KLKB1KEAP1
SCHEMBL26549275 0.88 LDHB (0.38) LDHBF12KLKB1KEAP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4306538-A2 PEPTIDE OLIGONUCLEOTIDE CONJUGATES Sarepta Therapeutics, Inc. (US) 2024-01-17 — — EP disclosed
EP-3297649-B1 PEPTIDE OLIGONUCLEOTIDE CONJUGATES SAREPTA THERAPEUTICS INC (US) 2023-10-11 — — EP disclosed
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