SCHEMBL16319395

SCHEMBL16319395

Cc1ccc(OC(=O)c2cc(F)c(Oc3ccc(Cl)c(OC(F)F)c3)cc2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.46
LMNA P02545 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
MAPT P10636 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
POLB P06746 1/20 0.35
PTK2B Q14289 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL16319560 0.94 SCN9A (0.41) SCN9ALMNA
SCHEMBL365466 0.92 SCN9A (0.46) SCN9ALMNAMEN1KMT2ANPSR1
SCHEMBL16319602 0.86 SCN9A (0.44) SCN9ALMNAMEN1KMT2AMAPT
SCHEMBL685592 0.85 SCN9A (0.51) SCN9ALMNAMEN1KMT2ANPSR1
SCHEMBL364739 0.80 SCN9A (0.51) SCN9ALMNA
SCHEMBL365478 0.79 SCN9A (0.52) SCN9A
SCHEMBL16319490 0.78 SCN9A (0.77) SCN9A
SCHEMBL365104 0.77 SCN9A (0.44) SCN9ALMNAMEN1KMT2ACYP1A2
SCHEMBL16175597 0.77 SCN9A (0.47) SCN9A
SCHEMBL1690158 0.77 SCN9A (0.49) 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