SCHEMBL8000300

SCHEMBL8000300

Cc1c(C(=O)Nc2cccc(C(F)(F)F)n2)nnn1-c1ccc(F)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.69
SMN1; SMN2 Q16637 2/20 0.59
TP53 P04637 3/20 0.57
PTGS2 P35354 4/20 0.53
CCR1 P32246 1/20 0.48
MAPT P10636 2/20 0.48
GSK3B P49841 1/20 0.44
WNT3A P56704 1/20 0.44
SMURF1 Q9HCE7 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MET P08581 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
RAB9A P51151 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
SCHEMBL3405207 0.87 GRM5 (0.67) GRM5SMN1; SMN2TP53PTGS2MAPT
SCHEMBL3402289 0.87 GRM5 (0.67) GRM5SMN1; SMN2TP53PTGS2MAPT
SCHEMBL3401188 0.85 TP53 (0.59) GRM5SMN1; SMN2TP53PTGS2CCR1
SCHEMBL3402699 0.79 TP53 (0.57) GRM5SMN1; SMN2TP53PTGS2MAPT
SCHEMBL30387819 0.78 GRM5 (0.58) GRM5SMN1; SMN2TP53MAPTGSK3B
SCHEMBL20604169 0.78 GRM5 (0.58) GRM5SMN1; SMN2TP53MAPTGSK3B
SCHEMBL7987917 0.77 TP53 (0.57) GRM5SMN1; SMN2TP53PTGS2MAPT
SCHEMBL3400890 0.77 SMN1; SMN2 (0.65) SMN1; SMN2TP53PTGS2MAPTMET
SCHEMBL13754541 0.75 PTGS2 (0.71) SMN1; SMN2TP53PTGS2MAPTCA1
SCHEMBL3435510 0.75 TP53 (0.57) GRM5SMN1; SMN2TP53PTGS2MAPT

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