SCHEMBL20095887

SCHEMBL20095887

O=S(=O)(Nc1nccs1)c1cc(Cl)c(NC2CCCC[C@@H]2N2CCCC2)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 1.00

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
SCHEMBL21906546 1.00 SCN9A (1.00) SCN9A
SCHEMBL20063513 1.00 SCN9A (1.00) SCN9A
SCHEMBL20072991 0.99 SCN9A (0.98) SCN9A
SCHEMBL20063514 0.99 SCN9A (0.98) SCN9A
Formic Acid SCHEMBL21838681 0.95 SCN9A (0.90) SCN9A
SCHEMBL20072948 0.95 SCN9A (1.00) SCN9A
SCHEMBL20063600 0.95 SCN9A (1.00) SCN9A
SCHEMBL20095904 0.93 SCN9A (1.00) SCN9A
SCHEMBL20063580 0.93 SCN9A (1.00) SCN9A
SCHEMBL20072969 0.93 SCN9A (0.87) SCN9A

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
WO-2018072602-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-26 WO disclosed