SCHEMBL2171100

SCHEMBL2171100

COc1ccc(NC(=O)c2nn(C)c3c2COc2ccccc2-3)cc1Cl

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.69
▸ THRB P10828 2/20 0.68
▸ POLB P06746 4/20 0.66
▸ TP53 P04637 4/20 0.63
▸ GRM4 Q14833 1/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ MALT1 Q9UDY8 1/20 0.47

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
SCHEMBL2172534 0.87 MAPT (0.68) MAPTTHRBPOLBTP53NPC1
SCHEMBL2549009 0.85 POLB (0.68) MAPTTHRBPOLBTP53MEN1
SCHEMBL2171108 0.85 MAPT (0.79) MAPTTHRBPOLBTP53MEN1
SCHEMBL2542966 0.84 MAPT (0.70) MAPTTHRBPOLBTP53MEN1
SCHEMBL2547296 0.84 MAPT (0.69) MAPTTHRBPOLBTP53MEN1
SCHEMBL2186610 0.82 MAPT (0.72) MAPTPOLBTP53KDM4ENPC1
SCHEMBL2172878 0.81 TP53 (0.68) MAPTTHRBPOLBTP53
SCHEMBL2547306 0.81 MAPT (0.79) MAPTTHRBPOLBTP53MEN1
SCHEMBL2173312 0.78 MAPT (0.61) MAPTTHRBPOLBTP53MEN1
SCHEMBL2542223 0.78 MAPT (0.66) MAPTPOLBTP53MEN1KMT2A

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
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