SCHEMBL29268944

SCHEMBL29268944

O=C(NC1C[C@H](Cn2ccnn2)N(C(=O)O)C1)c1ncc(-c2cccc(OC(F)(F)F)c2)o1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DGAT2 Q96PD7 3/20 0.38
▸ HDAC1 Q13547 4/20 0.37
▸ HDAC6 Q9UBN7 4/20 0.37
▸ FAAH O00519 3/20 0.36
▸ PIM1 P11309 5/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ MAP3K7 O43318 1/20 0.34
▸ TAB1 Q15750 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ STING1 Q86WV6 1/20 0.33

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
SCHEMBL29268943 1.00 DGAT2 (0.38) DGAT2HDAC1HDAC6FAAHPIM1
SCHEMBL25213305 1.00 DGAT2 (0.38) DGAT2HDAC1HDAC6FAAHPIM1
SCHEMBL30474041 0.91 DGAT2 (0.39) DGAT2HDAC1HDAC6PIM1MAP3K7
SCHEMBL29268955 0.91 DGAT2 (0.39) DGAT2HDAC1HDAC6PIM1MAP3K7
SCHEMBL29268952 0.91 DGAT2 (0.39) DGAT2HDAC1HDAC6PIM1MAP3K7
SCHEMBL29269042 0.91 HDAC1 (0.38) DGAT2HDAC1HDAC6FAAHPIM1
SCHEMBL25262089 0.91 HDAC1 (0.38) DGAT2HDAC1HDAC6FAAHPIM1
SCHEMBL29269038 0.91 HDAC1 (0.38) DGAT2HDAC1HDAC6FAAHPIM1
SCHEMBL25304282 0.89 HDAC1 (0.47) HDAC1HDAC6FAAH
SCHEMBL25218826 0.89 DGAT2 (0.37) DGAT2HDAC1HDAC6PIM1PDE4B

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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