SCHEMBL3406973

SCHEMBL3406973

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

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.67
ALOX12 P18054 1/20 0.67
MAPT P10636 1/20 0.62
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
HPGD P15428 1/20 0.50
ALDH1A1 P00352 5/20 0.48
MITF O75030 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
SLC5A1 P13866 5/20 0.47
SLC5A2 P31639 5/20 0.47
SPR P35270 1/20 0.47
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA4 P22748 2/20 0.45
CA9 Q16790 2/20 0.45
TSHR P16473 2/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL3406737 0.87 TP53 (0.64) TP53ALOX12MAPTKMT2ASMN1; SMN2
SCHEMBL23856227 0.82 TP53 (0.44) TP53ALOX12MAPTSMN1; SMN2HPGD
SCHEMBL3402296 0.81 TP53 (0.75) TP53ALOX12MAPTKMT2ASMN1; SMN2
SCHEMBL6280740 0.81 TP53 (1.00) TP53ALOX12MAPTKMT2ASMN1; SMN2
SCHEMBL3406954 0.80 ALOX12 (0.69) TP53ALOX12MAPTKMT2ASMN1; SMN2
SCHEMBL15882211 0.80 SMN1; SMN2 (0.77) TP53ALOX12MAPTKMT2ASMN1; SMN2
SCHEMBL3400622 0.78 TP53 (0.66) TP53ALOX12MAPTKMT2ASMN1; SMN2
SCHEMBL22831676 0.78 TP53 (0.62) TP53ALOX12MAPTKMT2ASMN1; SMN2
SCHEMBL29768506 0.77 NPC1 (0.44) TP53ALOX12MAPTSMN1; SMN2HPGD
SCHEMBL23458339 0.77 NPC1 (0.44) TP53ALOX12MAPTSMN1; SMN2HPGD

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