SCHEMBL3406954

SCHEMBL3406954

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 2/20 0.69
TP53 P04637 1/20 0.69
MAPT P10636 3/20 0.64
ALDH1A1 P00352 6/20 0.56
NPC1 O15118 1/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
MITF O75030 1/20 0.52
HPGD P15428 1/20 0.51
APAF1 O14727 1/20 0.51
CACNA1B Q00975 1/20 0.51
APBA1 Q02410 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
SLC5A1 P13866 4/20 0.48
SLC5A2 P31639 4/20 0.48
SPR P35270 1/20 0.47
CA4 P22748 1/20 0.46
CA9 Q16790 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 0.84 TP53 (0.66) ALOX12TP53MAPTALDH1A1CA1
SCHEMBL3402296 0.82 TP53 (0.75) ALOX12TP53MAPTALDH1A1NPC1
SCHEMBL6280740 0.82 TP53 (1.00) ALOX12TP53MAPTALDH1A1NPC1
SCHEMBL22831676 0.81 TP53 (0.62) ALOX12TP53MAPTALDH1A1CA1
SCHEMBL22831670 0.81 TP53 (0.62) ALOX12TP53MAPTALDH1A1CA1
SCHEMBL3406655 0.81 POLB (0.62) ALOX12TP53MAPTALDH1A1CA1
SCHEMBL15882211 0.81 SMN1; SMN2 (0.77) ALOX12TP53MAPTALDH1A1KMT2A
SCHEMBL25334300 0.81 TP53 (0.68) ALOX12TP53MAPTALDH1A1CA1
SCHEMBL3406973 0.80 TP53 (0.67) ALOX12TP53MAPTALDH1A1CA1
SCHEMBL3405863 0.80 TP53 (0.67) ALOX12TP53MAPTALDH1A1NPC1

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