SCHEMBL16175242

SCHEMBL16175242

CC(C)Oc1ncc(Oc2ccc(C(=O)O)cc2F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 13/20 0.49
▸ KCNQ3 O43525 2/20 0.47
▸ KCNQ2 O43526 2/20 0.47
▸ SCN5A Q14524 2/20 0.45
▸ KCNE1 P15382 1/20 0.45
▸ KCNQ1 P51787 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ PTGER4 P35408 1/20 0.43
▸ IGFBP3 P17936 1/20 0.41
▸ ACACB O00763 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
SCHEMBL16175156 0.89 SCN9A (0.51) SCN9AKCNQ3KCNQ2SCN5AKCNE1
SCHEMBL15543736 0.87 SCN9A (0.49) SCN9ASCN5APTGER4ACACB
SCHEMBL365976 0.85 SCN9A (0.46) SCN9AKCNQ3KCNQ2SCN5APTGER4
SCHEMBL16175333 0.85 SCN9A (0.58) SCN9ASCN5A
SCHEMBL365758 0.83 SCN9A (0.55) SCN9ASCN5A
SCHEMBL15543257 0.83 SCN9A (0.68) SCN9ASCN5APTGER4ACACB
SCHEMBL19411389 0.81 SCN9A (0.56) SCN9ASCN5A
SCHEMBL17176913 0.80 SCN9A (0.55) SCN9ASCN5A
SCHEMBL16175147 0.80 SCN9A (0.50) SCN9ASCN5A
SCHEMBL16175271 0.80 SCN9A (0.50) SCN9ASCN5AACACB

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-2593432-B1 N-SULFONYLBENZAMIDE DERIVATIVES USEFUL AS VOLTAGE GATED SODIUM CHANNEL INHIBITORS PFIZER LTD (GB) 2014-10-22 — — EP disclosed
Send feedback