SCHEMBL16319599

SCHEMBL16319599

COC(=O)c1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.52
NOTUM Q6P988 3/20 0.47
PLA2G7 Q13093 2/20 0.46
KDR P35968 3/20 0.46
BRAF P15056 3/20 0.46
RAF1 P04049 2/20 0.44
MAPK3 P27361 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
SCN5A Q14524 1/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
HDAC3 O15379 1/20 0.43
ARAF P10398 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43

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
SCHEMBL16320297 0.90 ESRRA (0.52) SCN9ANOTUMPLA2G7KDRBRAF
SCHEMBL16319690 0.86 PLA2G7 (0.53) SCN9APLA2G7KDRBRAFRAF1
SCHEMBL364772 0.85 RAF1 (0.53) SCN9ANOTUMKDRBRAFRAF1
SCHEMBL16319499 0.83 SCN9A (0.63) SCN9APLA2G7MRGPRX4SCN5A
SCHEMBL197395 0.82 NOTUM (0.62) NOTUMKDRMRGPRX4LMNAGAA
SCHEMBL21628831 0.81 MAPT (0.55) NOTUMMRGPRX4LMNAMAPTRAB9A
SCHEMBL9901570 0.78 PLA2G7 (0.49) SCN9APLA2G7KDRBRAF
SCHEMBL21628782 0.77 TDP1 (0.54) NOTUMLMNAMAPTRAB9A
SCHEMBL21628770 0.77 ALDH1A1 (0.51) NOTUMLMNAMAPTRAB9A
SCHEMBL21628850 0.77 ALDH1A1 (0.51) NOTUMMRGPRX4LMNAMAPTRAB9A

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