SCHEMBL28647192

SCHEMBL28647192

CC(=N[S+]([O-])C(C)(C)C)c1cc(F)cnc1Cl

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL28647191 1.00 SCN5A (0.32) SCN5ASCN9A
SCHEMBL31382578 0.83 PIK3C3 (0.32)
SCHEMBL4083904 0.83 PLAU (0.31)
SCHEMBL24992189 0.81 MAP3K5 (0.32)
SCHEMBL18361532 0.81 MAP3K5 (0.32)
SCHEMBL20188447 0.76
SCHEMBL21328177 0.76
SCHEMBL34469097 0.74 POLB (0.46)
SCHEMBL13466968 0.74 CES2 (0.41)
SCHEMBL23148360 0.74 CES2 (0.41)

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-113527298-A Macrocyclic lactam derivative, preparation method and application thereof 浙江海正药业股份有限公司 2021-10-22 CN disclosed