SCHEMBL3969684

SCHEMBL3969684

CCn1c(C)csc1=Nc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.61
HTT P42858 2/20 0.61
ALDH1A1 P00352 7/20 0.60
MAPT P10636 5/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
CRHBP P24387 1/20 0.60
CRHR2 Q13324 1/20 0.60
RAB9A P51151 6/20 0.59
NPC1 O15118 5/20 0.59
LMNA P02545 5/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
TDP1 Q9NUW8 4/20 0.59
HSD17B10 Q99714 1/20 0.58
GAA P10253 2/20 0.55
TP53 P04637 3/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
HCRTR1 O43613 1/20 0.51
HPGD P15428 1/20 0.51
MAPK10 P53779 1/20 0.51

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
SCHEMBL3969682 1.00 MAPK1 (0.61) MAPK1HTTALDH1A1MAPTL3MBTL1
SCHEMBL11694394 0.75 SMN1; SMN2 (0.50) MAPK1HTTALDH1A1MAPTL3MBTL1
SCHEMBL11694397 0.75 SMN1; SMN2 (0.50) MAPK1HTTALDH1A1MAPTL3MBTL1
SCHEMBL11696539 0.70 RAB9A (0.51) MAPK1ALDH1A1MAPTL3MBTL1CRHBP
SCHEMBL11696537 0.70 RAB9A (0.51) MAPK1ALDH1A1MAPTL3MBTL1CRHBP
SCHEMBL1427483 0.69 SMN1; SMN2 (0.73) MAPK1HTTALDH1A1MAPTL3MBTL1
SCHEMBL1427482 0.69 SMN1; SMN2 (0.73) MAPK1HTTALDH1A1MAPTL3MBTL1
SCHEMBL11676244 0.69 MAPT (0.64) MAPK1ALDH1A1MAPTL3MBTL1RAB9A
SCHEMBL11676241 0.69 MAPT (0.64) MAPK1ALDH1A1MAPTL3MBTL1RAB9A
SCHEMBL16921257 0.68 ALDH1A1 (1.00) MAPK1HTTALDH1A1MAPTL3MBTL1

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