SCHEMBL2172075

SCHEMBL2172075

Cc1ccc2c(c1)-c1[nH]nc(C(=O)O)c1CO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALPL P05186 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 11/20 0.42
THRB P10828 2/20 0.41
PGR P06401 1/20 0.40
MAPT P10636 6/20 0.39
HCAR2 Q8TDS4 2/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MMP12 P39900 1/20 0.37

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
SCHEMBL2171158 0.84 TP53 (0.43) KDM4EALDH1A1ALPLHSD17B10MEN1
SCHEMBL3518121 0.84 ALDH1A1 (0.43) KDM4EALDH1A1ALPLHSD17B10MEN1
SCHEMBL2171482 0.81 KDM4E (0.59) KDM4EALDH1A1ALPLHSD17B10KMT2A
SCHEMBL2175607 0.80 HCAR2 (0.40) KDM4EALDH1A1ALPLHSD17B10KMT2A
SCHEMBL2171831 0.80 HCAR2 (0.40) KDM4EALDH1A1ALPLHSD17B10KMT2A
SCHEMBL2171124 0.78 PGR (0.41) MEN1CYP1A2CYP2C9KMT2ATP53
SCHEMBL16334566 0.78 HCAR2 (0.40) KDM4EALDH1A1ALPLHSD17B10CYP1A2
SCHEMBL4729857 0.77 PRKAB2 (0.47) KDM4EALDH1A1ALPLHSD17B10MAPT
SCHEMBL6647866 0.77 CA2 (0.43) KDM4EALDH1A1ALPLHSD17B10
SCHEMBL3520429 0.77 HCAR2 (0.41) KDM4EALDH1A1ALPLHSD17B10KMT2A

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