SCHEMBL18096612

SCHEMBL18096612

Cn1nc(N)c2ccc(-c3c(F)cccc3OCC(F)(F)C(F)(F)F)cc21.Cn1nc(N)c2ccc(-c3c(F)cccc3OCC(F)(F)F)cc21

nearest known ligand 0.94

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 17/20 0.94
▸ SCN5A Q14524 5/20 0.50
▸ AKT1 P31749 1/20 0.38
▸ ALOX5AP P20292 1/20 0.38
▸ FEN1 P39748 1/20 0.38

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
SCHEMBL18096704 0.97 SCN9A (1.00) SCN9ASCN5AAKT1
SCHEMBL20481741 0.95 SCN9A (0.85) SCN9ASCN5AAKT1ALOX5APFEN1
SCHEMBL18096618 0.89 SCN9A (0.74) SCN9ASCN5AALOX5APFEN1
SCHEMBL18096708 0.82 SCN9A (0.84) SCN9ASCN5AALOX5APFEN1
SCHEMBL18096752 0.81 SCN9A (1.00) SCN9ASCN5AAKT1
SCHEMBL18096762 0.80 SCN9A (0.84) SCN9ASCN5A
SCHEMBL20481820 0.80 SCN9A (0.78) SCN9ASCN5AAKT1
SCHEMBL20481949 0.80 SCN9A (0.70) SCN9ASCN5AAKT1ALOX5APFEN1
SCHEMBL18096718 0.80 SCN9A (0.62) SCN9ASCN5AALOX5APFEN1
SCHEMBL18096607 0.79 SCN9A (1.00) SCN9ASCN5AAKT1ALOX5APFEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3274335-A1 AMINOINDAZOLE DERIVATIVES AS SODIUM CHANNEL INHIBITORS Almirall S.A. (ES) 2018-01-31 — — EP claimed
WO-2016150971-A1 AMINOINDAZOLE DERIVATIVES AS SODIUM CHANNEL INHIBITORS ALMIRALL, S.A. (ES) 2016-09-29 — — WO claimed
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