SCHEMBL3400622

SCHEMBL3400622

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.66
ALOX12 P18054 1/20 0.66
MAPT P10636 2/20 0.61
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
SLC5A1 P13866 2/20 0.50
SLC5A2 P31639 2/20 0.50
MITF O75030 1/20 0.50
HPGD P15428 2/20 0.49
ALOX15 P16050 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PTGS2 P35354 2/20 0.49
POLB P06746 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
L3MBTL1 Q9Y468 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
SCHEMBL3406655 0.89 POLB (0.62) TP53ALOX12MAPTKMT2AALDH1A1
SCHEMBL19211363 0.86 TP53 (0.58) TP53ALOX12MAPTKMT2AALDH1A1
SCHEMBL3402296 0.85 TP53 (0.75) TP53ALOX12MAPTKMT2AALDH1A1
SCHEMBL29408091 0.85 TP53 (0.57) TP53ALOX12MAPTKMT2AALDH1A1
SCHEMBL28697971 0.85 TP53 (0.57) TP53ALOX12MAPTKMT2AALDH1A1
SCHEMBL3406954 0.84 ALOX12 (0.69) TP53ALOX12MAPTKMT2AALDH1A1
SCHEMBL3405863 0.83 TP53 (0.67) TP53ALOX12MAPTKMT2AALDH1A1
SCHEMBL25334300 0.81 TP53 (0.68) TP53ALOX12MAPTKMT2AALDH1A1
SCHEMBL3406737 0.81 TP53 (0.64) TP53ALOX12MAPTKMT2AALDH1A1
SCHEMBL6280740 0.80 TP53 (1.00) TP53ALOX12MAPTKMT2AALDH1A1

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