SCHEMBL3406737

SCHEMBL3406737

CCOC(=O)c1nnn(-c2ccc(F)nc2)c1C

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.64
ALOX12 P18054 1/20 0.64
MAPT P10636 1/20 0.60
KMT2A Q03164 1/20 0.51
SLC5A1 P13866 5/20 0.49
SLC5A2 P31639 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.48
PTGS2 P35354 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA4 P22748 2/20 0.47
CA9 Q16790 2/20 0.47
ALDH1A1 P00352 3/20 0.47
MITF O75030 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
SPR P35270 1/20 0.45
LMNA P02545 1/20 0.43

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
SCHEMBL3406973 0.87 TP53 (0.67) TP53ALOX12MAPTKMT2ASLC5A1
SCHEMBL3402296 0.84 TP53 (0.75) TP53ALOX12MAPTKMT2ASLC5A1
SCHEMBL3400920 0.83 HTT (0.61) TP53ALOX12MAPTKMT2APTGS2
SCHEMBL3400622 0.81 TP53 (0.66) TP53ALOX12MAPTKMT2ASLC5A1
SCHEMBL3405863 0.79 TP53 (0.67) TP53ALOX12MAPTKMT2ASLC5A1
SCHEMBL6280740 0.79 TP53 (1.00) TP53ALOX12MAPTKMT2ASLC5A1
SCHEMBL3406655 0.78 POLB (0.62) TP53ALOX12MAPTKMT2ASLC5A1
SCHEMBL3406954 0.78 ALOX12 (0.69) TP53ALOX12MAPTKMT2ASLC5A1
SCHEMBL15882211 0.78 SMN1; SMN2 (0.77) TP53ALOX12MAPTKMT2ASLC5A1
SCHEMBL3407149 0.78 TP53 (0.57) TP53ALOX12MAPTKMT2ASLC5A1

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