SCHEMBL3405064

SCHEMBL3405064

Cc1ccccc1-n1nnc(C(=O)Nc2cccc(Cl)c2)c1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 2/20 0.60
MAPT P10636 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
LMNA P02545 1/20 0.60
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
GSK3B P49841 1/20 0.57
WNT3A P56704 1/20 0.57
NR1I2 O75469 8/20 0.53
RIPK1 Q13546 1/20 0.52
HIF1A Q16665 1/20 0.50
SMURF1 Q9HCE7 1/20 0.49
TP53 P04637 1/20 0.48
KDM4E B2RXH2 1/20 0.47
GRM4 Q14833 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 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
SCHEMBL8003697 0.89 SMN1; SMN2 (0.58) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL3407283 0.89 SMURF1 (0.59) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL3403675 0.86 MAPT (0.78) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL3404049 0.84 MAPT (0.55) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL3406096 0.83 MAPT (0.62) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL20604209 0.83 GSK3B (0.67) MEN1KMT2ASMN1; SMN2GSK3BWNT3A
SCHEMBL30387702 0.83 GSK3B (0.67) MEN1KMT2ASMN1; SMN2GSK3BWNT3A
SCHEMBL3407265 0.81 MAPT (0.65) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL3403988 0.80 SMN1; SMN2 (0.64) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL3407140 0.79 MAPT (0.60) MEN1KMT2AALDH1A1MAPTL3MBTL1

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