SCHEMBL2171479

SCHEMBL2171479

Cc1ccc(NC(=O)c2nn(C)c3c2COc2ccccc2-3)c(Br)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.63
TP53 P04637 3/20 0.63
MAPT P10636 5/20 0.61
LMNA P02545 3/20 0.52
THRB P10828 1/20 0.52
NR1H4 Q96RI1 5/20 0.46
NPC1 O15118 2/20 0.46
NFKB1 P19838 2/20 0.46
RAB9A P51151 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.45
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
AHR P35869 1/20 0.40

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
SCHEMBL7913681 0.82 MAPT (0.62) POLBTP53MAPTLMNATHRB
SCHEMBL2173304 0.81 POLB (0.68) POLBTP53MAPTLMNATHRB
SCHEMBL2172878 0.81 TP53 (0.68) POLBTP53MAPTLMNATHRB
SCHEMBL2172257 0.79 TP53 (0.75) POLBTP53MAPTLMNATHRB
SCHEMBL2546880 0.79 POLB (0.64) POLBTP53MAPTLMNANR1H4
SCHEMBL2546404 0.77 MAPT (0.64) POLBTP53MAPT
SCHEMBL2171108 0.77 MAPT (0.79) POLBTP53MAPTLMNATHRB
SCHEMBL2547306 0.77 MAPT (0.79) POLBTP53MAPTLMNATHRB
SCHEMBL2549009 0.77 POLB (0.68) POLBTP53MAPTTHRBNR1H4
SCHEMBL2547296 0.77 MAPT (0.69) POLBTP53MAPTLMNATHRB

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