SCHEMBL2172385

SCHEMBL2172385

CN(C(=O)c1n[nH]c2c1COc1ccccc1-2)c1cc(Cl)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
ALPL P05186 2/20 0.39
HSD17B10 Q99714 1/20 0.39
PIK3CA P42336 5/20 0.39
NR1H4 Q96RI1 2/20 0.35
TP53 P04637 3/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 1/20 0.34
THRB P10828 2/20 0.34
PIK3CB P42338 1/20 0.34
GLA P06280 2/20 0.33
GAA P10253 2/20 0.33
ATM Q13315 2/20 0.33
PIM1 P11309 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2172365 0.86 HCRTR2 (0.40) KDM4EALDH1A1ALPLHSD17B10GLA
SCHEMBL2171240 0.85 KDM4E (0.39) KDM4EALDH1A1ALPLHSD17B10PIK3CA
SCHEMBL2173329 0.84 GPBAR1 (0.47) KDM4EALDH1A1ALPLHSD17B10PIK3CA
SCHEMBL2172957 0.83 PIK3CA (0.53) KDM4EALDH1A1ALPLHSD17B10PIK3CA
SCHEMBL2173919 0.83 GPBAR1 (0.44) KDM4EALDH1A1ALPLHSD17B10PIK3CA
SCHEMBL2171484 0.82 POLB (0.49) PIK3CATP53MAPTKMT2AGPBAR1
SCHEMBL2172245 0.80 TP53 (0.41) KDM4EALDH1A1ALPLHSD17B10PIK3CA
SCHEMBL2172003 0.80 TP53 (0.42) KDM4EALDH1A1ALPLHSD17B10PIK3CA
SCHEMBL2173092 0.78 PIK3CA (0.44) KDM4EALDH1A1ALPLHSD17B10PIK3CA
SCHEMBL2173538 0.78 TP53 (0.44) KDM4EALDH1A1ALPLHSD17B10NR1H4

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