SCHEMBL2173102

SCHEMBL2173102

Cc1ccc2c(c1)-c1[nH]nc(CNc3cccc(Cl)c3)c1CO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
GAA P10253 3/20 0.42
ALDH1A1 P00352 2/20 0.41
FADS1 O60427 1/20 0.38
PDGFRB P09619 1/20 0.37
ROCK2 O75116 1/20 0.36
GRK2 P25098 1/20 0.36
EIF2AK1 Q9BQI3 2/20 0.36
MAPT P10636 3/20 0.36
MAOB P27338 1/20 0.36
EGFR P00533 4/20 0.35
ERBB2 P04626 1/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 2/20 0.35
PARP1 P09874 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL2171124 0.76 PGR (0.41) MAPTTP53THRBMEN1LMNA
SCHEMBL2173424 0.69 MAPT (0.46) KDM4EGAAALDH1A1MAPTMAOB
SCHEMBL2171582 0.67 MAPT (0.46) KDM4EGAAALDH1A1ROCK2MAPT
SCHEMBL2172075 0.66 KDM4E (0.42) KDM4EALDH1A1MAPTTP53THRB
SCHEMBL2171158 0.64 TP53 (0.43) KDM4EALDH1A1MAPTTP53THRB
SCHEMBL2173419 0.63 TP53 (0.44) MAPTMAOBTP53THRBKMT2A
SCHEMBL10883557 0.62 GAA (0.51) KDM4EGAAALDH1A1ROCK2GRK2
SCHEMBL10886957 0.62 KDM4E (0.48) KDM4EGAAALDH1A1ROCK2GRK2
SCHEMBL27930724 0.61 MAPT (0.60) KDM4EGAAALDH1A1MAPTEGFR
SCHEMBL11526578 0.60 MAPT (0.78) ALDH1A1MAPTMEN1HPGDHTT

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