SCHEMBL29062035

SCHEMBL29062035

COc1ccc(Oc2cc(C(F)(F)F)ccc2C(=O)Nc2cccc(C(=N)NN)c2)cc1F

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SCN8A Q9UQD0 4/20 0.64
▸ SCN10A Q9Y5Y9 4/20 0.64

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
SCHEMBL30530072 1.00 SCN8A (0.64) SCN8ASCN10A
SCHEMBL20644180 0.83 SCN8A (0.69) SCN8ASCN10A
SCHEMBL16408280 0.83 — —
SCHEMBL25374778 0.82 SCN8A (0.67) SCN8ASCN10A
SCHEMBL30530109 0.82 SCN8A (0.67) SCN8ASCN10A
SCHEMBL20644117 0.78 SCN8A (0.56) SCN8ASCN10A
SCHEMBL15561835 0.78 SCN8A (1.00) SCN8ASCN10A
SCHEMBL16398449 0.77 — —
SCHEMBL16408272 0.77 — —
SCHEMBL30530044 0.77 SCN8A (0.47) SCN8ASCN10A

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
CN-116655497-A Amidine derivative compound and preparation method and application thereof 中国科学院上海药物研究所 2023-08-29 — — CN disclosed
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