SCHEMBL8003176

SCHEMBL8003176

Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nnn1-c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.74
KDM4E B2RXH2 2/20 0.65
ROCK1 Q13464 1/20 0.61
TP53 P04637 1/20 0.61
LMNA P02545 2/20 0.60
MAPT P10636 2/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
CCR1 P32246 1/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HTT P42858 2/20 0.57
ALDH1A1 P00352 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
NR3C1 P04150 1/20 0.54
AKR1C3 P42330 1/20 0.54
KCNJ6 P48051 1/20 0.53
KCNJ5 P48544 1/20 0.53
KCNJ3 P48549 1/20 0.53
NR1I2 O75469 1/20 0.53

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
SCHEMBL7997749 0.85 RIPK1 (0.65) SMN1; SMN2KDM4ETP53LMNAMAPT
SCHEMBL7997747 0.85 TP53 (0.68) SMN1; SMN2KDM4ETP53LMNAMAPT
SCHEMBL3403675 0.83 MAPT (0.78) SMN1; SMN2KDM4ETP53LMNAMAPT
SCHEMBL13902178 0.83 SMN1; SMN2 (0.71) SMN1; SMN2KDM4EROCK1TP53LMNA
SCHEMBL13902182 0.81 SMN1; SMN2 (0.68) SMN1; SMN2KDM4EROCK1TP53LMNA
SCHEMBL13902186 0.80 SMN1; SMN2 (0.69) SMN1; SMN2KDM4EROCK1TP53LMNA
SCHEMBL16404208 0.80 CNR1 (0.64) SMN1; SMN2KDM4EMAPTRAB9AMEN1
SCHEMBL4018661 0.80 POLB (0.70) SMN1; SMN2KDM4EROCK1LMNAMAPT
SCHEMBL13902183 0.80 JAK3 (0.71) SMN1; SMN2KDM4EROCK1LMNAMAPT
SCHEMBL13902185 0.79 SMN1; SMN2 (0.69) SMN1; SMN2KDM4EROCK1TP53LMNA

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