SCHEMBL3406655

SCHEMBL3406655

CCOC(=O)c1nnn(-c2ccc(F)c(Cl)c2)c1C

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
TP53 P04637 1/20 0.62
ALOX12 P18054 1/20 0.62
ALDH1A1 P00352 3/20 0.61
MAPT P10636 2/20 0.58
SLC5A1 P13866 2/20 0.49
SLC5A2 P31639 2/20 0.49
KMT2A Q03164 1/20 0.49
PTGS2 P35354 2/20 0.49
MET P08581 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
MAPK1 P28482 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA9 Q16790 1/20 0.47
MITF O75030 1/20 0.47
HPGD P15428 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL3400622 0.89 TP53 (0.66) POLBTP53ALOX12ALDH1A1MAPT
SCHEMBL15741969 0.88 SMN1; SMN2 (0.63) POLBTP53ALOX12ALDH1A1MAPT
SCHEMBL22831676 0.86 TP53 (0.62) POLBTP53ALOX12ALDH1A1MAPT
SCHEMBL22831670 0.86 TP53 (0.62) POLBTP53ALOX12ALDH1A1MAPT
SCHEMBL25334300 0.83 TP53 (0.68) TP53ALOX12ALDH1A1MAPTSLC5A1
SCHEMBL3403620 0.83 ALDH1A1 (0.61) POLBTP53ALDH1A1MAPTSLC5A1
SCHEMBL19211363 0.83 TP53 (0.58) POLBTP53ALOX12ALDH1A1MAPT
SCHEMBL3402296 0.82 TP53 (0.75) TP53ALOX12ALDH1A1MAPTSLC5A1
SCHEMBL29408088 0.82 TP53 (0.57) POLBTP53ALOX12ALDH1A1MAPT
SCHEMBL28686848 0.82 TP53 (0.57) POLBTP53ALOX12ALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252599-A1 TRIAZOLE AMIDE DERIVATIVES FOR USE IN THERAPY Glaxo Group Limited (GB) 2010-11-24 EP disclosed
WO-2009115486-A1 TRIAZOLE AMIDE DERIVATIVES FOR USE IN THERAPY GLAXO GROUP LIMITED (GB) 2009-09-24 WO disclosed
WO-2009115486-A1 TRIAZOLE AMIDE DERIVATIVES FOR USE IN THERAPY GLAXO GROUP LIMITED (GB) 2009-09-24 WO disclosed