SCHEMBL30370342

SCHEMBL30370342

O=C(O)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RPA1 P27694 1/20 0.49
PIM1 P11309 1/20 0.48
PIM2 Q9P1W9 1/20 0.48
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL4946316 1.00 MEN1 (0.57) MEN1KMT2AALDH1A1NPSR1HTT
SCHEMBL3063301 0.89 MEN1 (0.54) MEN1KMT2AALDH1A1NPSR1HTT
SCHEMBL13078465 0.87 MEN1 (0.56) MEN1KMT2AALDH1A1NPSR1HTT
SCHEMBL13044122 0.84 MEN1 (0.53) MEN1KMT2AHTTSMN1; SMN2KDM4E
SCHEMBL4944264 0.82 SLC9A1 (0.71)
SCHEMBL12670456 0.80 ALDH1A1 (0.68) MEN1KMT2AALDH1A1NPSR1SMN1; SMN2
SCHEMBL4944262 0.80 MEN1 (0.55) MEN1KMT2AALDH1A1NPSR1HTT
SCHEMBL14472215 0.78 MEN1 (0.51) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL6355620 0.78 MEN1 (0.51) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL2135901 0.77 MEN1 (0.50) MEN1KMT2AALDH1A1HTTSMN1; SMN2

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