SCHEMBL7986777

SCHEMBL7986777

Cc1ccc(-n2nnc(C(=O)Nc3cccc(Cl)c3)c2C)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
MAPT P10636 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
ALDH1A1 P00352 3/20 0.60
LMNA P02545 2/20 0.60
HTT P42858 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
RIPK1 Q13546 1/20 0.49
MAPK10 P53779 1/20 0.48
TP53 P04637 2/20 0.48
GRM4 Q14833 1/20 0.48
RAB9A P51151 2/20 0.47
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
NR1I2 O75469 1/20 0.46
AHR P35869 1/20 0.46
HPGD P15428 1/20 0.45
HIF1A Q16665 1/20 0.45
NPC1 O15118 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
SCHEMBL8001635 0.90 MAPT (0.58) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3403675 0.85 MAPT (0.78) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3406096 0.85 MAPT (0.62) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3407265 0.85 MAPT (0.65) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3407140 0.83 MAPT (0.60) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3403988 0.82 SMN1; SMN2 (0.64) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3406689 0.80 MEN1 (0.62) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3405841 0.79 MEN1 (0.53) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3405064 0.79 MEN1 (0.60) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL8003697 0.77 SMN1; SMN2 (0.58) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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