SCHEMBL2173419

SCHEMBL2173419

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.44
MAPT P10636 3/20 0.44
TDP1 Q9NUW8 1/20 0.43
GPBAR1 Q8TDU6 2/20 0.42
THRB P10828 1/20 0.42
NR1H4 Q96RI1 2/20 0.39
HSD17B1 P14061 2/20 0.38
HSD17B2 P37059 2/20 0.38
PGR P06401 1/20 0.37
AR P10275 1/20 0.37
KMT2A Q03164 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
PIK3CA P42336 1/20 0.37
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
MAOB P27338 1/20 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
SCHEMBL2170968 0.92 TP53 (0.46) TP53MAPTTDP1GPBAR1THRB
SCHEMBL2173329 0.92 GPBAR1 (0.47) TP53MAPTTDP1GPBAR1THRB
SCHEMBL2173919 0.82 GPBAR1 (0.44) TP53MAPTGPBAR1PIK3CA
SCHEMBL2172003 0.79 TP53 (0.42) TP53MAPTGPBAR1THRBPIK3CA
SCHEMBL2171314 0.78 GPBAR1 (0.47) TP53MAPTGPBAR1HSD17B1HSD17B2
SCHEMBL2174569 0.77 MAPT (0.60) TP53MAPTGPBAR1HSD17B1HSD17B2
SCHEMBL2173220 0.77 GPBAR1 (0.46) TP53MAPTTDP1GPBAR1THRB
SCHEMBL2172385 0.76 KDM4E (0.39) TP53MAPTGPBAR1THRBNR1H4
SCHEMBL2171484 0.76 POLB (0.49) TP53MAPTGPBAR1KMT2APIK3CA
SCHEMBL2173818 0.76 TP53 (0.60) TP53MAPTTDP1GPBAR1THRB

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