SCHEMBL2174569

SCHEMBL2174569

CN(C(=O)c1n[nH]c2c1COc1ccccc1-2)c1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
TP53 P04637 6/20 0.60
RXFP1 Q9HBX9 2/20 0.48
POLB P06746 2/20 0.48
PIK3CA P42336 2/20 0.43
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALPL P05186 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPBAR1 Q8TDU6 3/20 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
SCHEMBL2173329 0.85 GPBAR1 (0.47) MAPTTP53POLBPIK3CAHSD17B1
SCHEMBL2171314 0.83 GPBAR1 (0.47) MAPTTP53PIK3CAHSD17B1HSD17B2
SCHEMBL2173919 0.80 GPBAR1 (0.44) MAPTTP53PIK3CAKDM4EALDH1A1
SCHEMBL2173419 0.77 TP53 (0.44) MAPTTP53PIK3CAHSD17B1HSD17B2
SCHEMBL2172245 0.77 TP53 (0.41) MAPTTP53PIK3CAKDM4EALDH1A1
SCHEMBL2170968 0.76 TP53 (0.46) MAPTTP53PIK3CAHSD17B1HSD17B2
SCHEMBL2172957 0.76 PIK3CA (0.53) POLBPIK3CAKDM4EALDH1A1GLA
SCHEMBL2172385 0.74 KDM4E (0.39) MAPTTP53PIK3CAKDM4EALDH1A1
SCHEMBL2171482 0.73 KDM4E (0.59) POLBKDM4EALDH1A1GLAGAA
SCHEMBL2171240 0.73 KDM4E (0.39) MAPTTP53POLBPIK3CAKDM4E

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 claimed
WO-2010049366-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2010-05-06 WO claimed