SCHEMBL30060113

SCHEMBL30060113

COC[C@@H]1C[C@@H](NC(=O)c2ncc(-c3cccc(OC(F)(F)F)c3)o2)CN1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 6/20 0.45
▸ HDAC6 Q9UBN7 6/20 0.45
▸ FAAH O00519 2/20 0.40
▸ TYRO3 Q06418 1/20 0.38
▸ PIM1 P11309 5/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HPGDS O60760 1/20 0.36
▸ MEN1 O00255 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
SCHEMBL30060144 1.00 HDAC1 (0.45) HDAC1HDAC6FAAHTYRO3PIM1
Trifluoroacetic Acid SCHEMBL30230512 0.97 HDAC1 (0.43) HDAC1HDAC6FAAHTYRO3PIM1
Trifluoroacetic Acid SCHEMBL30062036 0.97 HDAC1 (0.43) HDAC1HDAC6FAAHTYRO3PIM1
SCHEMBL24072828 0.88 HDAC1 (0.52) HDAC1HDAC6KMT2AALDH1A1HPGD
SCHEMBL25838395 0.88 HDAC1 (0.52) HDAC1HDAC6KMT2AALDH1A1HPGD
SCHEMBL24073562 0.88 HDAC1 (0.52) HDAC1HDAC6KMT2AALDH1A1HPGD
SCHEMBL27418092 0.88 HDAC1 (0.52) HDAC1HDAC6KMT2AALDH1A1HPGD
SCHEMBL25211891 0.87 HDAC1 (0.40) HDAC1HDAC6FAAHPIM1
Trifluoroacetic Acid SCHEMBL30370026 0.85 HDAC1 (0.49) HDAC1HDAC6
Trifluoroacetic Acid SCHEMBL30474049 0.85 HDAC1 (0.49) HDAC1HDAC6

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-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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