SCHEMBL16319441

SCHEMBL16319441

O=C(O)c1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)c(F)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.51
PLA2G7 Q13093 5/20 0.46
MEN1 O00255 1/20 0.46
TTR P02766 1/20 0.46
PPOX P50336 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NOTUM Q6P988 1/20 0.45
PPARG P37231 2/20 0.44
PPARA Q07869 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.41
RHEB Q15382 1/20 0.41
BRAF P15056 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40

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
SCHEMBL365318 0.91 SCN9A (0.50) SCN9APLA2G7MEN1TTRPPOX
SCHEMBL16319358 0.84 SCN9A (0.48) SCN9APLA2G7PPARGPPARABRAF
SCHEMBL364276 0.83 SCN9A (0.54) SCN9APLA2G7NOTUMPPARGPPARA
SCHEMBL16319316 0.82 PPARG (0.49) SCN9APLA2G7NOTUMPPARGPPARA
SCHEMBL364840 0.82 SCN9A (0.69) SCN9APLA2G7MEN1TTRPPOX
SCHEMBL16319584 0.82 SCN9A (0.60) SCN9APLA2G7
SCHEMBL16319404 0.81 SCN9A (0.53) SCN9APLA2G7NOTUMPPARGPPARA
SCHEMBL16319690 0.80 PLA2G7 (0.53) SCN9APLA2G7PPARGPPARAMRGPRX4
SCHEMBL16319785 0.79 PLA2G7 (0.55) SCN9APLA2G7MEN1TTRPPOX
SCHEMBL16319516 0.79 SCN9A (0.48) SCN9APLA2G7MEN1KMT2ABRAF

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