SCHEMBL29055119

SCHEMBL29055119

CCOC(=O)C1(C)CC(c2cc(-c3ncc(C(F)(F)F)cc3Br)c(F)cc2Cl)=NO1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ RECQL P46063 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL29712895 1.00 MEN1 (0.39) MEN1KMT2AL3MBTL1ALDH1A1POLB
SCHEMBL29055118 0.94 ALDH1A1 (0.42) MEN1KMT2AL3MBTL1ALDH1A1POLB
SCHEMBL24485237 0.93 MEN1 (0.42) MEN1KMT2AL3MBTL1ALDH1A1POLB
SCHEMBL30525115 0.91 MEN1 (0.40) MEN1KMT2AL3MBTL1ALDH1A1POLB
SCHEMBL29712890 0.91 MEN1 (0.40) MEN1KMT2AL3MBTL1ALDH1A1POLB
SCHEMBL29055194 0.91 MEN1 (0.40) MEN1KMT2AL3MBTL1ALDH1A1POLB
SCHEMBL29712900 0.88 MEN1 (0.40) MEN1KMT2AL3MBTL1ALDH1A1POLB
SCHEMBL29055100 0.88 MEN1 (0.40) MEN1KMT2AL3MBTL1ALDH1A1POLB
SCHEMBL24485260 0.87 MEN1 (0.36) MEN1KMT2AL3MBTL1ALDH1A1POLB
SCHEMBL24485252 0.86 CA1 (0.36) ALDH1A1GAACA1CA2KDM4E

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-116568673-A Herbicidal compounds 先正达农作物保护股份公司 2023-08-08 — — CN disclosed
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