SCHEMBL2774056

SCHEMBL2774056

CCOc1ccccc1/C(N)=N/O.N/C(=N\O)c1ccccc1OC(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
HCRTR1 O43613 2/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KCNK3 O14649 3/20 0.39
KCNK9 Q9NPC2 3/20 0.39
PDK2 Q15119 1/20 0.39
F2R P25116 1/20 0.39
GRIN2B Q13224 2/20 0.38
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
RXFP1 Q9HBX9 2/20 0.37
MEN1 O00255 1/20 0.37
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADRA2A P08913 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
SCHEMBL2774058 1.00 NPSR1 (0.44) NPSR1HCRTR1ALDH1A1HPGDHSD17B10
SCHEMBL102458 0.88 GAA (0.42) ALDH1A1KCNK3KCNK9F2RGRIN2B
SCHEMBL2789848 0.88 HCRTR1 (0.50) NPSR1HCRTR1ALDH1A1HPGDHSD17B10
SCHEMBL102459 0.88 GAA (0.42) ALDH1A1KCNK3KCNK9F2RGRIN2B
SCHEMBL2789846 0.88 HCRTR1 (0.50) NPSR1HCRTR1ALDH1A1HPGDHSD17B10
SCHEMBL11831818 0.78 NPSR1 (0.40) NPSR1HCRTR1ALDH1A1HSD17B10MAPT
SCHEMBL16563990 0.75 F2R (0.45) HCRTR1ALDH1A1KCNK3KCNK9F2R
SCHEMBL16563989 0.75 F2R (0.45) HCRTR1ALDH1A1KCNK3KCNK9F2R
SCHEMBL23761699 0.72 ANO1 (0.44) HCRTR1ALDH1A1KCNK3KCNK9F2R
SCHEMBL8653429 0.72 LMNA (0.55) ALDH1A1HSD17B10MAPTGAAMEN1

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-2193126-A1 OXADIAZOLE DIARYL COMPOUNDS Merck Serono S.A. (CH) 2010-06-09 EP disclosed
WO-2009043890-A1 OXADIAZOLE DIARYL COMPOUNDS MERCK SERONO S.A. (CH) 2009-04-09 WO disclosed