SCHEMBL29268955

SCHEMBL29268955

CC(C)(C)OC(=O)N1CC(NC(=O)c2ncc(-c3cccc(OC(F)(F)F)c3)o2)C[C@@H]1Cn1ccnn1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DGAT2 Q96PD7 1/20 0.39
▸ HDAC1 Q13547 3/20 0.37
▸ HDAC6 Q9UBN7 3/20 0.37
▸ PIM1 P11309 7/20 0.35
▸ SLC5A1 P13866 7/20 0.35
▸ RORC P51449 1/20 0.34
▸ MAP3K7 O43318 1/20 0.34
▸ TAB1 Q15750 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
SCHEMBL29268952 1.00 DGAT2 (0.39) DGAT2HDAC1HDAC6PIM1SLC5A1
SCHEMBL30474041 1.00 DGAT2 (0.39) DGAT2HDAC1HDAC6PIM1SLC5A1
SCHEMBL30474032 0.91 HDAC1 (0.37) HDAC1HDAC6PIM1SLC5A1
SCHEMBL25213305 0.91 DGAT2 (0.38) DGAT2HDAC1HDAC6PIM1MAP3K7
SCHEMBL29268943 0.91 DGAT2 (0.38) DGAT2HDAC1HDAC6PIM1MAP3K7
SCHEMBL29268944 0.91 DGAT2 (0.38) DGAT2HDAC1HDAC6PIM1MAP3K7
SCHEMBL30474059 0.91 HDAC1 (0.44) HDAC1HDAC6PIM1RORC
SCHEMBL24073258 0.91 HDAC1 (0.44) HDAC1HDAC6PIM1RORC
SCHEMBL30474019 0.90 FAAH (0.34) HDAC1HDAC6RORC
SCHEMBL25675712 0.90 FAAH (0.34) HDAC1HDAC6RORC

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-118302422-A Substituted N-cyanopyrrolidines having activity as USP30 inhibitors 特殊治疗有限公司 2024-07-05 — — CN disclosed
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