SCHEMBL535275

SCHEMBL535275

CCc1cc(/C(N)=N\O)ccc1CN(C)CC(=O)OC(C)(C)C.Cc1cc(/C(N)=N/O)ccc1CO

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AVPR2 P30518 1/20 0.31
PARP1 P09874 1/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 1/20 0.30
GFER P55789 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL535276 1.00 F10 (0.33) F10MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL10170456 0.92 F10 (0.34) F10MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL408556 0.92 F10 (0.34) F10MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL408557 0.92 F10 (0.34) F10MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL408854 0.81 SLC6A2 (0.37) F10MAPTALDH1A1SMN1; SMN2PARP1
SCHEMBL9968914 0.81 MTNR1A (0.36) F10MAPTKDM4EALDH1A1PARP1
SCHEMBL2772719 0.81 MTNR1A (0.36) F10MAPTKDM4EALDH1A1PARP1
SCHEMBL2772718 0.81 MTNR1A (0.36) F10MAPTKDM4EALDH1A1PARP1
SCHEMBL10170444 0.81 SLC6A2 (0.37) F10MAPTALDH1A1SMN1; SMN2PARP1
SCHEMBL408853 0.81 SLC6A2 (0.37) F10MAPTALDH1A1SMN1; SMN2PARP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414341-A2 OXADIAZOLE DERIVATIVES Merck Serono SA (CH) 2012-02-08 EP disclosed
EP-2414342-A1 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2012-02-08 EP disclosed
WO-2010115751-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
WO-2010112461-A1 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-07 WO disclosed