SCHEMBL29606802

SCHEMBL29606802

O=C(O)c1cccc(-c2noc(-c3c(O)cccc3F)n2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.71
BLVRB P30043 1/20 0.71
HDAC6 Q9UBN7 1/20 0.71
NPC1 O15118 8/20 0.60
RAB9A P51151 8/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
NR1H4 Q96RI1 1/20 0.51
LMNA P02545 1/20 0.48
CASP3 P42574 2/20 0.47
SENP8 Q96LD8 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 2/20 0.47
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
NFKB2 Q00653 1/20 0.46
KMT2A Q03164 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL60072 1.00 MAOA (0.71) MAOABLVRBHDAC6NPC1RAB9A
SCHEMBL59154 0.92 MAOA (0.78) MAOABLVRBHDAC6NPC1RAB9A
Ataluren SCHEMBL29361641 0.83 MAOA (1.00) MAOABLVRBHDAC6NPC1RAB9A
Ataluren SCHEMBL29360108 0.83 MAOA (1.00) MAOABLVRBHDAC6NPC1RAB9A
Ataluren SCHEMBL29365205 0.83 MAOA (1.00) MAOABLVRBHDAC6NPC1RAB9A
Ataluren SCHEMBL60614 0.83 MAOA (1.00) MAOABLVRBHDAC6NPC1RAB9A
Ataluren SCHEMBL59167 0.82 MAOA (0.97) MAOABLVRBHDAC6NPC1RAB9A
Ataluren SCHEMBL59165 0.82 MAOA (0.97) MAOABLVRBHDAC6NPC1RAB9A
SCHEMBL60044 0.82 MAOA (0.83) MAOABLVRBHDAC6NPC1RAB9A
SCHEMBL18507380 0.82 RAB9A (0.63) MAOABLVRBHDAC6NPC1RAB9A

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-3889142-B1 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS INC (US) 2022-06-15 EP disclosed