SCHEMBL30370993

SCHEMBL30370993

COc1ccc(C(F)(F)F)cc1C(=O)NN

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.55
PPARA Q07869 14/20 0.53
PPARD Q03181 5/20 0.51
PPARG P37231 4/20 0.51
CFTR P13569 1/20 0.50
PSEN1 P49768 2/20 0.49
PSEN2 P49810 2/20 0.49
APH1B Q8WW43 2/20 0.49
NCSTN Q92542 2/20 0.49
APH1A Q96BI3 2/20 0.49
PSENEN Q9NZ42 2/20 0.49
SCN8A Q9UQD0 1/20 0.49
SCN10A Q9Y5Y9 1/20 0.49
MAPT P10636 1/20 0.48

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
SCHEMBL24073620 1.00 CTSD (0.55) CTSDPPARAPPARDPPARGCFTR
SCHEMBL8116932 0.83 MAPT (0.47) PPARAPPARDPPARGCFTRSCN8A
SCHEMBL29617695 0.83 CFTR (0.50) PPARACFTRSCN8ASCN10AMAPT
SCHEMBL4638408 0.83 CFTR (0.50) PPARACFTRSCN8ASCN10AMAPT
SCHEMBL344681 0.83 MAPT (0.48) PPARAPPARDPPARGCFTRSCN8A
SCHEMBL4070406 0.83 CFTR (0.62) PPARAPPARDPPARGCFTRSCN8A
SCHEMBL10712777 0.82 PPARA (0.54) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL24801415 0.82 PPARA (0.57) PPARAPPARDPPARGPSEN1PSEN2
Hydrochloric Acid SCHEMBL8102752 0.82 MAPT (0.46) PPARAPPARDPPARGCFTRSCN8A
SCHEMBL320173 0.81 CYP2C19 (0.50) PPARACFTRSCN8ASCN10AMAPT

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
EP-4157834-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) 2023-04-05 EP disclosed