SCHEMBL10290362

SCHEMBL10290362

Cc1cc(C(=O)NCc2cnc(OCC(F)F)c(CI)c2)cc(NC(=O)CC2CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.40
GLS O94925 4/20 0.38
CCR3 P51677 2/20 0.34
GSK3B P49841 3/20 0.33
MAPT P10636 1/20 0.33
ABL1 P00519 1/20 0.33
IRAK4 Q9NWZ3 3/20 0.32
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
MAPK14 Q16539 1/20 0.31
PDE4A P27815 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 0.31
CNR2 P34972 1/20 0.31
RIPK1 Q13546 1/20 0.31
KDM4E B2RXH2 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL2714712 0.90 SCN9A (0.40) SCN9AGLSCCR3GSK3BMAPT
SCHEMBL2715870 0.89 SCN9A (0.47) SCN9AGLSCCR3ABL1IRAK4
SCHEMBL2713376 0.81 SCN9A (0.52) SCN9ACCR3GSK3BMAPTRIPK1
SCHEMBL2716501 0.81 SCN9A (0.44) SCN9AGSK3BMAPTRIPK1KDM4E
SCHEMBL2713603 0.79 CCR3 (0.41) SCN9ACCR3GSK3BMAPTABL1
SCHEMBL2715702 0.79 SCN9A (0.41) SCN9ACCR3GSK3BMAPT
SCHEMBL2717384 0.79 SCN9A (0.43) SCN9AGLSCCR3GSK3BABL1
SCHEMBL2713122 0.78 SCN9A (0.48) SCN9ACCR3GSK3BMAPTCCNE1
SCHEMBL2714871 0.78 SCN9A (0.39) SCN9ACCR3GSK3BCCNE1CDK2
SCHEMBL2716161 0.78 SCN9A (0.47) SCN9ACCR3GSK3BMAPTABL1

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