SCHEMBL2170968

SCHEMBL2170968

CN(C(=O)c1n[nH]c2c1COc1ccc(F)cc1-2)c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.46
MAPT P10636 5/20 0.44
PIK3CA P42336 2/20 0.42
THRB P10828 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
GPBAR1 Q8TDU6 3/20 0.40
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
AR P10275 1/20 0.35
KMT2A Q03164 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
NR1H4 Q96RI1 2/20 0.35

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
SCHEMBL2173419 0.92 TP53 (0.44) TP53MAPTPIK3CATHRBTDP1
SCHEMBL2173329 0.88 GPBAR1 (0.47) TP53MAPTPIK3CATHRBTDP1
SCHEMBL2172003 0.80 TP53 (0.42) TP53MAPTPIK3CATHRBGPBAR1
SCHEMBL2171308 0.79 PIK3CA (0.53) TP53MAPTPIK3CATHRBGPBAR1
SCHEMBL2173919 0.77 GPBAR1 (0.44) TP53MAPTPIK3CAGPBAR1
SCHEMBL2174569 0.76 MAPT (0.60) TP53MAPTPIK3CAGPBAR1HSD17B1
SCHEMBL2171314 0.75 GPBAR1 (0.47) TP53MAPTPIK3CAGPBAR1HSD17B1
SCHEMBL2173220 0.74 GPBAR1 (0.46) TP53MAPTTHRBTDP1GPBAR1
SCHEMBL2172385 0.73 KDM4E (0.39) TP53MAPTPIK3CATHRBGPBAR1
SCHEMBL2173818 0.73 TP53 (0.60) TP53MAPTPIK3CATHRBTDP1

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 4 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
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