SCHEMBL24072855

SCHEMBL24072855

CC1CC(NC(=O)c2ncc(-c3cccc(C(F)(F)F)c3)o2)CN1C#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.51
▸ HDAC6 Q9UBN7 4/20 0.51
▸ USP30 Q70CQ3 3/20 0.41
▸ F2R P25116 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ UCHL1 P09936 1/20 0.39
▸ GRIN1 Q05586 3/20 0.38
▸ GRIN2B Q13224 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KDM1A O60341 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL24073259 1.00 HDAC1 (0.51) HDAC1HDAC6USP30F2RPIM1
SCHEMBL30370111 1.00 HDAC1 (0.51) HDAC1HDAC6USP30F2RPIM1
SCHEMBL24072853 1.00 HDAC1 (0.51) HDAC1HDAC6USP30F2RPIM1
SCHEMBL30370217 1.00 HDAC1 (0.51) HDAC1HDAC6USP30F2RPIM1
SCHEMBL27418155 1.00 HDAC1 (0.51) HDAC1HDAC6USP30F2RPIM1
SCHEMBL24073559 0.88 HDAC1 (0.49) HDAC1HDAC6USP30F2RPIM1
SCHEMBL30370215 0.88 HDAC1 (0.49) HDAC1HDAC6USP30F2RPIM1
SCHEMBL27418698 0.88 HDAC1 (0.49) HDAC1HDAC6USP30F2RPIM1
SCHEMBL24072829 0.88 HDAC1 (0.49) HDAC1HDAC6USP30F2RPIM1
SCHEMBL27418111 0.88 HDAC1 (0.49) HDAC1HDAC6USP30F2RPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4157834-B1 N-(1-CYANO-PYRROLIDIN-3-YL)-5-(3-(TRIFLUOROMETHYL)PHENYL)OXAZOLE-2-CARBOXAMIDE DERIVATIVES AND THE CORRESPONDING OXADIAZOLE DERIVATIVES AS USP30 INHIBITORS FOR THE TREATMENT OF MITOCHONDRIAL DYSFUNCTION MISSION THERAPEUTICS LTD (GB) 2024-07-03 — — EP disclosed
WO-2021239863-A1 N-(1-CYANO-PYRROLIDIN-3-YL)-5-(3-(TRIFLUOROMETHYL)PHENYL)OXAZOLE-2-CARBOXAMIDE DERIVATIVES AND THE CORRESPONDING OXADIAZOLE DERIVATIVES AS USP30 INHIBITORS FOR THE TREATMENT OF MITOCHONDRIAL DYSFUNCTION MISSION THERAPEUTICS LIMITED (GB) 2021-12-02 — — WO disclosed
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