SCHEMBL4550400

SCHEMBL4550400

CC(C)C(=O)Nc1cc(C(=O)NC(C)c2cc(CI)cc(OC(F)(F)F)c2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
GSK3B P49841 8/20 0.47
SCN9A Q15858 1/20 0.44
ACACB O00763 2/20 0.40
WDR5 P61964 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
PDE2A O00408 1/20 0.39
NTRK1 P04629 3/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR139 Q6DWJ6 1/20 0.38

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
SCHEMBL2715032 0.86 GSK3B (0.48) MAPTGSK3BSCN9AACACBPDE2A
SCHEMBL2718235 0.85 PDE2A (0.52) MAPTGSK3BSCN9AACACBTRPV1
SCHEMBL2718234 0.85 PDE2A (0.52) MAPTGSK3BSCN9AACACBTRPV1
SCHEMBL2715785 0.84 MAPK1 (0.49) MAPTGSK3BNTRK1MAPK1MEN1
SCHEMBL18266729 0.80 MAPT (0.47) MAPTGSK3BSCN9AACACBMAPK1
SCHEMBL15349989 0.79 TRPV1 (0.49) MAPTGSK3BTRPV1PDE2AMAPK1
SCHEMBL18266507 0.79 MAPT (0.49) MAPTGSK3BSCN9AACACBPDE2A
SCHEMBL4550821 0.78 GSK3B (0.59) MAPTGSK3BSCN9AACACBMAPK1
SCHEMBL2714555 0.78 ACACB (0.48) GSK3BACACBPDE2ANTRK1MAPK1
SCHEMBL16234568 0.78 SCN9A (0.50) MAPTGSK3BSCN9AACACBWDR5

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-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO disclosed