SCHEMBL2173228

SCHEMBL2173228

O=C(NCc1cccc(Cl)c1)c1n[nH]c2c1CSc1ccccc1-2

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
TP53 P04637 2/20 0.46
CNR2 P34972 2/20 0.44
CNR1 P21554 3/20 0.43
GSK3B P49841 1/20 0.42
NPC1 O15118 1/20 0.42
MAPK3 P27361 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL22750950 0.82 MAPT (0.57) MAPTTP53MAPK1
SCHEMBL2173220 0.75 GPBAR1 (0.46) MAPTTP53
SCHEMBL2175482 0.71 ROCK2 (0.49) MAPTTP53NPC1MAPK1
SCHEMBL5698468 0.68 CDK2 (0.54) MAPTTP53
SCHEMBL13545789 0.65 GAA (0.77) MAPTNPC1
SCHEMBL3461102 0.65 NPC1 (0.70) TP53NPC1
SCHEMBL2171642 0.65 MAPT (0.67) MAPTTP53NPC1MAPK1
SCHEMBL5945685 0.64 RAB9A (0.60) NPC1MAPK3MAPK1
SCHEMBL5057266 0.64 CNR1 (0.77) MAPTTP53CNR2CNR1
SCHEMBL5332860 0.64 NPC1 (0.72) NPC1MAPK3MAPK1

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-2346832-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS Glaxo Group Limited (GB) 2011-07-27 EP disclosed
WO-2010049366-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2010-05-06 WO disclosed