SCHEMBL30060110

SCHEMBL30060110

COC[C@@H]1C[C@@H](NC(=O)c2ncc(-c3cccc(OC(F)(F)F)c3)o2)CN1C#N

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.42
▸ HDAC6 Q9UBN7 4/20 0.42
▸ USP30 Q70CQ3 6/20 0.40
▸ PIM1 P11309 6/20 0.39
▸ FAAH O00519 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ HPGDS O60760 1/20 0.36

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
SCHEMBL30060139 1.00 HDAC1 (0.42) HDAC1HDAC6USP30PIM1FAAH
SCHEMBL30370215 0.89 HDAC1 (0.49) HDAC1HDAC6USP30PIM1
SCHEMBL27418111 0.89 HDAC1 (0.49) HDAC1HDAC6USP30PIM1
SCHEMBL24072829 0.89 HDAC1 (0.49) HDAC1HDAC6USP30PIM1
SCHEMBL27418698 0.89 HDAC1 (0.49) HDAC1HDAC6USP30PIM1
SCHEMBL24073559 0.89 HDAC1 (0.49) HDAC1HDAC6USP30PIM1
SCHEMBL25144570 0.89 USP30 (0.42) HDAC1HDAC6USP30PIM1FAAH
SCHEMBL25144728 0.89 USP30 (0.42) HDAC1HDAC6USP30PIM1FAAH
SCHEMBL30230922 0.88 HDAC1 (0.43) HDAC1HDAC6PIM1FAAHMAPT
SCHEMBL30060169 0.88 HDAC1 (0.43) HDAC1HDAC6PIM1FAAHMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4132925-A1 N-CYANOPYRROLIDINES WITH ACTIVITY AS USP30 INHIBITORS Mission Therapeutics Limited (GB) 2023-02-15 — — EP claimed
EP-4132925-A1 N-CYANOPYRROLIDINES WITH ACTIVITY AS USP30 INHIBITORS Mission Therapeutics Limited (GB) 2023-02-15 — — EP disclosed
CN-115461340-A N-cyanopyrrolidines having activity as USP30 inhibitors 特殊治疗有限公司 2022-12-09 — — CN disclosed
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