SCHEMBL3406689

SCHEMBL3406689

CSc1cccc(-n2nnc(C(=O)Nc3cccc(Cl)c3)c2C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
MAPT P10636 4/20 0.62
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.62
HTT P42858 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
RIPK1 Q13546 1/20 0.51
TP53 P04637 3/20 0.50
HSD17B10 Q99714 1/20 0.50
NPY5R Q15761 1/20 0.46
NR1I2 O75469 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
GRM4 Q14833 1/20 0.46
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45

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) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL3403988 0.85 SMN1; SMN2 (0.64) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL3406096 0.84 MAPT (0.62) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL3407140 0.82 MAPT (0.60) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL3407265 0.82 MAPT (0.65) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL7986777 0.80 MEN1 (0.60) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL8001635 0.78 MAPT (0.58) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL3405064 0.78 MEN1 (0.60) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL8003697 0.77 SMN1; SMN2 (0.58) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL3407283 0.77 SMURF1 (0.59) MEN1KMT2ASMN1; SMN2MAPTALDH1A1

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