SCHEMBL29145448

SCHEMBL29145448

CC(C)(C)OC(=O)N[C@@H]1CCc2nc(Br)sc2C1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 4/20 0.49
SCN3A Q9NY46 4/20 0.43
SCN9A Q15858 3/20 0.43
SCN5A Q14524 1/20 0.43
CTSK P43235 2/20 0.40
BTK Q06187 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
SCHEMBL15738520 1.00 SCN4A (0.49) SCN4ASCN3ASCN9ASCN5ACTSK
SCHEMBL28912414 0.87 SCN4A (0.49) SCN4ASCN3ASCN9ASCN5ACTSK
SCHEMBL28912415 0.87 SCN4A (0.49) SCN4ASCN3ASCN9ASCN5ACTSK
SCHEMBL14146257 0.86 SCN4A (0.48) SCN4ASCN3ASCN9ASCN5ACTSK
SCHEMBL307244 0.86 SCN4A (0.64) SCN4ASCN3ASCN9ASCN5A
SCHEMBL2713962 0.86 SCN4A (0.64) SCN4ASCN3ASCN9ASCN5A
SCHEMBL307243 0.86 SCN4A (0.64) SCN4ASCN3ASCN9ASCN5A
SCHEMBL21552301 0.85 NPC1 (0.49) SCN4A
SCHEMBL28912406 0.85 SCN4A (0.48) SCN4ASCN3ASCN9ASCN5ACTSK
SCHEMBL28912404 0.85 SCN4A (0.48) SCN4ASCN3ASCN9ASCN5ACTSK

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-112574191-B Isoxazole heterocyclic compound and application thereof 南京圣和药业股份有限公司 2024-01-23 CN disclosed