SCHEMBL20115569

SCHEMBL20115569

OCC1CCN(c2cc(F)c(SNc3nccs3)cc2Cl)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.41
CYP3A4 P08684 4/20 0.37
IRAK4 Q9NWZ3 3/20 0.37
SCN8A Q9UQD0 4/20 0.35
SCN5A Q14524 2/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SCN1A P35498 2/20 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
SCHEMBL20115793 0.89 SCN9A (0.37) SCN9ACYP3A4SCN8ASCN5ASCN1A
SCHEMBL20115736 0.80 SCN9A (0.35) SCN9ACYP3A4SCN8A
SCHEMBL20115792 0.80 SCN9A (0.36) SCN9ACYP3A4SCN8A
SCHEMBL20115568 0.80 SCN9A (0.62) SCN9ACYP3A4SCN8ASCN5A
SCHEMBL30479337 0.80 SCN9A (0.62) SCN9ACYP3A4SCN8ASCN5A
SCHEMBL20115586 0.72 SCN9A (0.67) SCN9ACYP3A4SCN5A
SCHEMBL20115636 0.71 SCN5A (0.65) SCN9ACYP3A4SCN5A
SCHEMBL31566501 0.70 SCN9A (0.58) SCN9ACYP3A4SCN8ASCN5ASCN1A
SCHEMBL21707538 0.70 SCN9A (0.56) SCN9ACYP3A4SCN8ASCN5ASCN1A
SCHEMBL25975292 0.70 SCN1A (0.38) SCN8ASCN5ALMNASMN1; SMN2SCN1A

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-2018081384-A1 ACYL SULFONAMIDE NAV1.7 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-03 WO disclosed