SCHEMBL2773041

SCHEMBL2773041

CN(CCC(=O)O)Cc1cccc(C(N)=NO)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 2/20 0.43
KDM4C Q9H3R0 2/20 0.43
SIGMAR1 Q99720 4/20 0.42
TMEM97 Q5BJF2 3/20 0.42
PPARG P37231 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
F2 P00734 3/20 0.41
PRSS1 P07477 2/20 0.41
MEP1B Q16820 1/20 0.40
KMT2A Q03164 2/20 0.40
BMP1 P13497 1/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL2773039 1.00 KDM4A (0.43) KDM4AKDM4CSIGMAR1TMEM97PPARG
SCHEMBL2771476 0.87 CD274 (0.42) PPARGF2PRSS1MEP1BKMT2A
SCHEMBL2771473 0.87 CD274 (0.42) PPARGF2PRSS1MEP1BKMT2A
SCHEMBL9968931 0.84 NOS1 (0.39) SIGMAR1TMEM97F2PRSS1
SCHEMBL407531 0.83 SLC7A5 (0.39) SIGMAR1SMN1; SMN2F2PRSS1MEP1B
SCHEMBL9968916 0.83 SLC7A5 (0.39) SIGMAR1SMN1; SMN2F2PRSS1MEP1B
SCHEMBL407530 0.83 SLC7A5 (0.39) SIGMAR1SMN1; SMN2F2PRSS1MEP1B
SCHEMBL12505623 0.81 MEN1 (0.54) KMT2AMEN1RAB9A
SCHEMBL12505590 0.81 MEN1 (0.54) KMT2AMEN1RAB9A
SCHEMBL12505591 0.81 MEN1 (0.54) KMT2AMEN1RAB9A

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-2193125-A2 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2010-06-09 EP disclosed
WO-2009043889-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2009-04-09 WO disclosed