SCHEMBL16319579

SCHEMBL16319579

CC(C)(C)OC(=O)c1c(F)cc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.45
RAF1 P04049 6/20 0.42
BRAF P15056 5/20 0.42
KDR P35968 4/20 0.42
EPHX2 P34913 3/20 0.42
RIPK2 O43353 2/20 0.42
ABCB11 O95342 2/20 0.42
ABL1 P00519 2/20 0.42
RET P07949 2/20 0.42
HTR1A P08908 2/20 0.42
PDGFRB P09619 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
KIT P10721 2/20 0.42
FGFR1 P11362 2/20 0.42
PDGFRA P16234 2/20 0.42
FLT1 P17948 2/20 0.42
MAOA P21397 2/20 0.42
EPHA1 P21709 2/20 0.42
TBXA2R P21731 2/20 0.42
EPHA2 P29317 2/20 0.42

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
SCHEMBL16319521 0.86 SCN9A (0.49) SCN9ARAF1BRAFKDREPHX2
SCHEMBL16319606 0.83 SCN9A (0.48) SCN9ARAF1BRAFKDREPHX2
SCHEMBL30261504 0.80 SCN9A (0.63) SCN9A
SCHEMBL371128 0.80 SCN9A (0.63) SCN9A
SCHEMBL16319358 0.78 SCN9A (0.48) SCN9ARAF1BRAFKDREPHX2
SCHEMBL16319523 0.78 SCN9A (0.56) SCN9ARAF1BRAFKDREPHX2
SCHEMBL364276 0.76 SCN9A (0.54) SCN9ARAF1BRAFKDREPHX2
SCHEMBL366843 0.75 SCN9A (0.49) SCN9ARAF1BRAFKDREPHX2
SCHEMBL13945703 0.73 AR (0.47) SCN9ARAF1BRAFKDREPHX2
SCHEMBL15599210 0.73 SCN9A (0.65) SCN9A

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
EP-2593427-B1 SULFONAMIDE DERIVATIVES AS NAV1.7 INHIBITORS FOR THE TREATMENT OF PAIN PFIZER LTD (GB) 2014-12-24 EP disclosed