SCHEMBL3974584

SCHEMBL3974584

NC(=S)N(CCO)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
SERPINE1 P05121 3/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
NPY1R P25929 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
EPHX1 P07099 1/20 0.37
GRIN2B Q13224 3/20 0.37
MAOB P27338 1/20 0.36
AOC3 Q16853 1/20 0.36

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
SCHEMBL3969996 0.80 MLYCD (0.43) ALDH1A1NPSR1LMNANOS3NOS1
SCHEMBL3968468 0.79 MAPK1 (0.40) MAPTKDM4ENPC1ALDH1A1GAA
SCHEMBL3973730 0.77 ADRA2A (0.46) MAPTKDM4EALDH1A1POLBGAA
SCHEMBL5537171 0.74 SLC6A4 (0.41) MAPTSERPINE1LMNAL3MBTL1
SCHEMBL3972855 0.74 SMN1; SMN2 (0.47) KDM4EALDH1A1GRIN2BMLYCDSMN1; SMN2
SCHEMBL4096326 0.74 POLB (0.36) KDM4ENPC1ALDH1A1POLBRAB9A
SCHEMBL3973752 0.74 ALDH1A1 (0.46) MAPTALDH1A1GAARAB9ATDP1
SCHEMBL2649697 0.73 SERPINE1 (0.54) SERPINE1
SCHEMBL11816669 0.73 ALDH1A1 (0.52) MAPTKDM4EALDH1A1GAAL3MBTL1
SCHEMBL3971781 0.71 ALDH1A1 (0.46) MAPTKDM4EALDH1A1POLBGAA

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-2016061-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE Glaxo Group Limited (GB) 2009-01-21 EP disclosed
WO-2007122241-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-11-01 WO disclosed