SCHEMBL29227181

SCHEMBL29227181

CC(C)(C)OC(=O)NCc1c(OCc2ccc(F)cc2)ccc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.64
▸ KMT2A Q03164 6/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ NPBWR1 P48145 1/20 0.52
▸ MCHR1 Q99705 1/20 0.52
▸ PRMT5 O14744 3/20 0.47
▸ WDR77 Q9BQA1 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ GRM2 Q14416 1/20 0.45
▸ HDAC1 Q13547 2/20 0.44
▸ PLA2G1B P04054 1/20 0.43
▸ ATG4B Q9Y4P1 1/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42

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
SCHEMBL29227214 0.81 PLA2G1B (0.60) LMNAKMT2AMEN1MAPTL3MBTL1
SCHEMBL21939689 0.77 KDM4A (0.52) KMT2AMEN1ALDH1A1GAAHDAC10
SCHEMBL1444314 0.76 HPGD (0.59) LMNAKMT2AL3MBTL1GAAGRM2
SCHEMBL30873565 0.76 LMNA (0.49) LMNAKMT2AMEN1KDM4ENPBWR1
SCHEMBL29227248 0.76 PRMT5 (0.79) LMNAKMT2AMEN1KDM4ENPBWR1
Hydrochloric Acid SCHEMBL27698235 0.75 HPGD (0.58) LMNAKMT2AL3MBTL1GAAGRM2
SCHEMBL29227190 0.75 LMNA (0.64) LMNAKMT2AMEN1KDM4ENPBWR1
SCHEMBL29227169 0.74 LMNA (0.60) LMNAKMT2AMEN1KDM4ENPBWR1
SCHEMBL29227084 0.74 LMNA (0.60) LMNAKMT2AMEN1KDM4ENPBWR1
SCHEMBL1654408 0.74 PLA2G1B (0.48) LMNAMAPTL3MBTL1ALDH1A1HDAC1

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-117946031-A Substituted aromatic phenol derivatives of KNa1.1 channel inhibitors 北京大学 2024-04-30 — — CN disclosed
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