SCHEMBL12466206

SCHEMBL12466206

C[S+]([O-])c1cccc(C2CC(C)(C)c3cc(C(=O)NS(C)(=O)=O)ccc3N2)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 14/20 0.40
▸ F7 P08709 14/20 0.40
▸ F10 P00742 13/20 0.38
▸ SCN3A Q9NY46 1/20 0.35
▸ IP6K1 Q92551 1/20 0.34
▸ SCN9A Q15858 4/20 0.34
▸ SCN5A Q14524 1/20 0.33

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
SCHEMBL11027843 0.86 F11 (0.42) F11F7F10SCN3AIP6K1
SCHEMBL11023614 0.85 F7 (0.45) F11F7F10SCN3A
SCHEMBL11028289 0.84 SCN2B (0.43) F11F7F10SCN3ASCN9A
SCHEMBL11025560 0.83 SCN9A (0.43) F11F7F10SCN9ASCN5A
SCHEMBL11026899 0.83 F11 (0.45) F11F7F10SCN3ASCN9A
SCHEMBL11023480 0.83 F11 (0.45) F11F7F10SCN3A
SCHEMBL11024812 0.82 IP6K1 (0.41) F11F7F10SCN3AIP6K1
SCHEMBL11024124 0.80 F11 (0.43) F11F7F10SCN9A
SCHEMBL11025590 0.78 F11 (0.43) F11F7F10SCN3A
SCHEMBL11940897 0.78 F11 (0.42) F11F7F10SCN3AIP6K1

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-2668165-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 — — EP disclosed
WO-2012101068-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 — — WO disclosed
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