SCHEMBL2172365

SCHEMBL2172365

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 16/20 0.40
HCRTR1 O43613 15/20 0.40
KDM4E B2RXH2 3/20 0.38
GLA P06280 2/20 0.38
PIM1 P11309 1/20 0.38
RUNX1 Q01196 1/20 0.38
CBFB Q13951 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ALPL P05186 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 1/20 0.36
ATM Q13315 1/20 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
SCHEMBL2172385 0.86 KDM4E (0.39) KDM4EGLAPIM1ALDH1A1ALPL
SCHEMBL2175786 0.78 KDM4E (0.38) KDM4EGLAPIM1RUNX1CBFB
SCHEMBL2172245 0.78 TP53 (0.41) KDM4EALDH1A1ALPLHSD17B10
SCHEMBL2171240 0.77 KDM4E (0.39) KDM4EGLAPIM1ALDH1A1ALPL
SCHEMBL2172957 0.76 PIK3CA (0.53) KDM4EGLAPIM1ALDH1A1ALPL
SCHEMBL2175693 0.75 ALPL (0.41) KDM4EALDH1A1ALPLHSD17B10
SCHEMBL2173919 0.74 GPBAR1 (0.44) KDM4EGLAPIM1ALDH1A1ALPL
SCHEMBL2171308 0.74 PIK3CA (0.53) KDM4EGLAALDH1A1ALPLHSD17B10
SCHEMBL2173329 0.74 GPBAR1 (0.47) KDM4EALDH1A1ALPLHSD17B10
SCHEMBL2171314 0.72 GPBAR1 (0.47) ALDH1A1

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