SCHEMBL534800

SCHEMBL534800

CN(CC(=O)OC(C)(C)C)Cc1ccc(C(N)=NO)c(Cl)c1.NC(=NO)c1ccc(CO)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
S1PR1 P21453 1/20 0.35
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NR1D1 P20393 1/20 0.33
NR1H3 Q13133 1/20 0.33
MAPT P10636 2/20 0.32
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
F10 P00742 3/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL534799 1.00 LMNA (0.41) LMNAMEN1KMT2AS1PR1NPC1
SCHEMBL405072 0.92 LMNA (0.39) LMNAMEN1KMT2AS1PR1RAB9A
SCHEMBL405071 0.92 LMNA (0.39) LMNAMEN1KMT2AS1PR1RAB9A
SCHEMBL10170446 0.92 LMNA (0.39) LMNAMEN1KMT2AS1PR1RAB9A
SCHEMBL10170373 0.86 S1PR1 (0.38) LMNAS1PR1NPC1RAB9ANR1D1
SCHEMBL409765 0.86 S1PR1 (0.38) LMNAS1PR1NPC1RAB9ANR1D1
SCHEMBL409764 0.86 S1PR1 (0.38) LMNAS1PR1NPC1RAB9ANR1D1
SCHEMBL408854 0.79 SLC6A2 (0.37) LMNAMEN1KMT2AS1PR1SMN1; SMN2
SCHEMBL10170444 0.79 SLC6A2 (0.37) LMNAMEN1KMT2AS1PR1SMN1; SMN2
SCHEMBL408853 0.79 SLC6A2 (0.37) LMNAMEN1KMT2AS1PR1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414342-A1 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2012-02-08 EP disclosed
EP-2414341-A2 OXADIAZOLE DERIVATIVES Merck Serono SA (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