SCHEMBL18716612

SCHEMBL18716612

OC(O)c1ccc(-c2nnc(-c3ccc4ncsc4c3)o2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.48
▸ DYRK1A Q13627 1/20 0.47
▸ FFAR1 O14842 1/20 0.42
▸ GSK3B P49841 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MAPK14 Q16539 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ HKDC1 Q2TB90 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ USP30 Q70CQ3 1/20 0.38
▸ IRAK4 Q9NWZ3 2/20 0.38
▸ SNCA P37840 1/20 0.37
▸ HSPD1 P10809 1/20 0.37
▸ PTPN2 P17706 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
SCHEMBL3493900 0.83 APP (0.52) APPDYRK1AKDM4ELMNAMAPT
SCHEMBL3493309 0.82 APP (0.51) APPDYRK1AGSK3BKDM4EMAPT
SCHEMBL12170942 0.80 NPC1 (0.62) APPDYRK1AFFAR1KDM4ELMNA
SCHEMBL3492630 0.77 APP (0.52) APPDYRK1AFFAR1GSK3BKDM4E
SCHEMBL3491891 0.76 HPGD (0.57) APPDYRK1AGSK3BKDM4ELMNA
SCHEMBL12170961 0.74 NPC1 (0.58) APPDYRK1AKDM4ELMNAMAPT
SCHEMBL31214345 0.72 DYRK1A (0.72) APPDYRK1AFFAR1KDM4EALDH1A1
SCHEMBL12614654 0.69 DYRK1A (0.55) APPDYRK1AFFAR1KDM4ENPC1
SCHEMBL4713744 0.68 NPC1 (0.49) DYRK1AFFAR1KDM4EALDH1A1NPC1
SCHEMBL360534 0.68 TAS1R3 (0.46) DYRK1AFFAR1GSK3BKDM4ELMNA

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
US-9611230-B2 1,3,4-oxadiazole benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2017-04-04 — — US disclosed
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