SCHEMBL21824928

SCHEMBL21824928

CC(C)(C)OC(=O)N1CC[C@H](Oc2cccc(C(N)=NO)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.50
GPR119 Q8TDV5 4/20 0.48
CHEK2 O96017 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
OPRK1 P41145 4/20 0.43
KDM1A O60341 1/20 0.43
PDE4B Q07343 1/20 0.43
PIK3CD O00329 3/20 0.43
PIK3CA P42336 2/20 0.43
PIK3CB P42338 2/20 0.43
PIK3CG P48736 2/20 0.43
KCNH2 Q12809 1/20 0.42

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
SCHEMBL21887074 0.87 CHEK2 (0.54) USP30GPR119CHEK2PDE4BPIK3CD
SCHEMBL5549702 0.86 USP30 (0.57) USP30GPR119CHEK2MEN1KMT2A
SCHEMBL2980098 0.86 USP30 (0.57) USP30GPR119CHEK2MEN1KMT2A
SCHEMBL5543111 0.86 USP30 (0.57) USP30GPR119CHEK2MEN1KMT2A
SCHEMBL21825098 0.85 OPRK1 (0.49) MEN1KMT2AOPRK1KCNH2
SCHEMBL5542864 0.84 USP30 (0.53) USP30GPR119MEN1KMT2APDE4B
SCHEMBL5548433 0.84 USP30 (0.53) USP30GPR119MEN1KMT2APDE4B
SCHEMBL8248136 0.84 USP30 (0.56) USP30GPR119CHEK2MEN1KMT2A
SCHEMBL1032633 0.84 USP30 (0.56) USP30GPR119CHEK2MEN1KMT2A
SCHEMBL28059314 0.84 USP30 (0.56) USP30GPR119CHEK2MEN1KMT2A

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-3860992-A1 NOVEL OXADIAZOLES PI Industries Ltd. (IN) 2021-08-11 EP disclosed
WO-2020070610-A1 NOVEL OXADIAZOLES PI INDUSTRIES LTD. (IN) 2020-04-09 WO disclosed