SCHEMBL3406096

SCHEMBL3406096

Cc1ccc(-n2nnc(C(=O)Nc3cccc(Cl)c3)c2C)cc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
ALDH1A1 P00352 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
LMNA P02545 1/20 0.62
HTT P42858 1/20 0.62
TP53 P04637 3/20 0.53
RIPK1 Q13546 1/20 0.51
CCNC P24863 1/20 0.49
CDK8 P49336 1/20 0.49
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NR1I2 O75469 2/20 0.47
HIF1A Q16665 1/20 0.46
PTGS2 P35354 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
SCHEMBL3403675 0.87 MAPT (0.78) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3407140 0.87 MAPT (0.60) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3407265 0.87 MAPT (0.65) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3403988 0.86 SMN1; SMN2 (0.64) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7986777 0.85 MEN1 (0.60) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3406689 0.84 MEN1 (0.62) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3405064 0.83 MEN1 (0.60) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8001635 0.83 MAPT (0.58) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3400866 0.80 MAPT (0.58) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8003697 0.79 SMN1; SMN2 (0.58) MAPTSMN1; SMN2MEN1KMT2AALDH1A1

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 5 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 claimed
WO-2009115486-A1 TRIAZOLE AMIDE DERIVATIVES FOR USE IN THERAPY GLAXO GROUP LIMITED (GB) 2009-09-24 WO claimed
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