SCHEMBL2172245

SCHEMBL2172245

Cc1cc(N(C)C(=O)c2n[nH]c3c2COc2ccccc2-3)no1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.41
MAPT P10636 3/20 0.41
ALPL P05186 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
PIK3CA P42336 6/20 0.36
KMT2A Q03164 1/20 0.35
KIT P10721 1/20 0.34
FLT1 P17948 1/20 0.34
KDR P35968 1/20 0.34
PGR P06401 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
SCHEMBL2172385 0.80 KDM4E (0.39) TP53MAPTALPLKDM4EALDH1A1
SCHEMBL2171240 0.79 KDM4E (0.39) TP53MAPTALPLKDM4EALDH1A1
SCHEMBL2172957 0.78 PIK3CA (0.53) ALPLKDM4EALDH1A1HSD17B10PIK3CA
SCHEMBL2171308 0.78 PIK3CA (0.53) TP53MAPTALPLKDM4EALDH1A1
SCHEMBL2173919 0.78 GPBAR1 (0.44) TP53MAPTALPLKDM4EALDH1A1
SCHEMBL2172365 0.78 HCRTR2 (0.40) ALPLKDM4EALDH1A1HSD17B10
SCHEMBL2173329 0.78 GPBAR1 (0.47) TP53MAPTALPLKDM4EALDH1A1
SCHEMBL2174569 0.77 MAPT (0.60) TP53MAPTALPLKDM4EALDH1A1
SCHEMBL2175693 0.76 ALPL (0.41) TP53MAPTALPLKDM4EALDH1A1
SCHEMBL2171314 0.76 GPBAR1 (0.47) TP53MAPTALDH1A1RAB9ANPC1

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