SCHEMBL2175607

SCHEMBL2175607

Cc1cc2c(cc1F)-c1[nH]nc(C(=O)O)c1CO2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 15/20 0.40
MPL P40238 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALPL P05186 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.34
NOTUM Q6P988 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
SCHEMBL2171831 0.85 HCAR2 (0.40) HCAR2KDM4EALDH1A1ALPLHSD17B10
SCHEMBL2172150 0.85 KDM4E (0.37) MPLKDM4EALDH1A1ALPLHSD17B10
SCHEMBL4727175 0.76 HCAR2 (0.39) HCAR2KDM4EALDH1A1ALPLHSD17B10
SCHEMBL3520429 0.75 HCAR2 (0.41) HCAR2KDM4EALDH1A1ALPLHSD17B10
SCHEMBL3518121 0.75 ALDH1A1 (0.43) KDM4EALDH1A1ALPLHSD17B10PRKAB2
SCHEMBL3747711 0.75 KMT2A (0.44) HCAR2KDM4EALDH1A1ALPLHSD17B10
SCHEMBL2171482 0.74 KDM4E (0.59) HCAR2KDM4EALDH1A1ALPLHSD17B10
SCHEMBL4728060 0.72 ALPL (0.43) HCAR2KDM4EALDH1A1ALPLHSD17B10
SCHEMBL4728706 0.72 ALPL (0.43) HCAR2KDM4EALDH1A1ALPLHSD17B10
SCHEMBL2171236 0.71 L3MBTL1 (0.38) KDM4EALDH1A1ALPLHSD17B10

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