SCHEMBL2173092

SCHEMBL2173092

COc1cc(OC)c(N(C)C(=O)c2n[nH]c3c2COc2ccccc2-3)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.44
TP53 P04637 4/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SHMT2 P34897 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 4/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALPL P05186 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PIK3CB P42338 1/20 0.36
PDGFRB P09619 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
SCHEMBL2171484 0.89 POLB (0.49) PIK3CATP53MEN1KMT2ASHMT2
SCHEMBL2172957 0.84 PIK3CA (0.53) PIK3CAGPBAR1POLBKDM4EALDH1A1
SCHEMBL2173919 0.78 GPBAR1 (0.44) PIK3CATP53GPBAR1MAPTKDM4E
SCHEMBL2172385 0.78 KDM4E (0.39) PIK3CATP53KMT2AGPBAR1MAPT
SCHEMBL2171314 0.78 GPBAR1 (0.47) PIK3CATP53GPBAR1SMN1; SMN2MAPT
SCHEMBL2173329 0.78 GPBAR1 (0.47) PIK3CATP53KMT2AGPBAR1POLB
SCHEMBL2175693 0.77 ALPL (0.41) PIK3CATP53KMT2APOLBMAPT
SCHEMBL2171240 0.75 KDM4E (0.39) PIK3CATP53KMT2AGPBAR1POLB
SCHEMBL2171308 0.74 PIK3CA (0.53) PIK3CATP53KMT2AGPBAR1MAPT
SCHEMBL2172245 0.74 TP53 (0.41) PIK3CATP53KMT2AMAPTKDM4E

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 disclosed
WO-2010049366-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2010-05-06 WO disclosed