SCHEMBL2172957

SCHEMBL2172957

CN(C(=O)c1n[nH]c2c1COc1ccccc1-2)c1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.53
PIK3CB P42338 4/20 0.47
GPBAR1 Q8TDU6 6/20 0.47
KDM4E B2RXH2 2/20 0.42
ALPL P05186 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
PIM1 P11309 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL2175693 0.85 ALPL (0.41) PIK3CAPIK3CBKDM4EALPLALDH1A1
SCHEMBL2173919 0.85 GPBAR1 (0.44) PIK3CAGPBAR1KDM4EALPLALDH1A1
SCHEMBL2173092 0.84 PIK3CA (0.44) PIK3CAPIK3CBGPBAR1KDM4EALPL
SCHEMBL2172385 0.83 KDM4E (0.39) PIK3CAPIK3CBGPBAR1KDM4EALPL
SCHEMBL2171484 0.82 POLB (0.49) PIK3CAGPBAR1POLB
SCHEMBL2173329 0.82 GPBAR1 (0.47) PIK3CAGPBAR1KDM4EALPLALDH1A1
SCHEMBL2172003 0.82 TP53 (0.42) PIK3CAGPBAR1KDM4EALPLALDH1A1
SCHEMBL2171240 0.81 KDM4E (0.39) PIK3CAGPBAR1KDM4EALPLALDH1A1
SCHEMBL2171308 0.80 PIK3CA (0.53) PIK3CAGPBAR1KDM4EALPLALDH1A1
SCHEMBL2172245 0.78 TP53 (0.41) PIK3CAKDM4EALPLALDH1A1HSD17B10

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