SCHEMBL23677194

SCHEMBL23677194

N#Cc1cc(Cl)ccc1OCc1cc(F)c(C(=O)[SH](N=N)C2CC2)cc1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 5/20 0.44
▸ KCNH2 Q12809 1/20 0.37
▸ MRGPRX4 Q96LA9 4/20 0.36
▸ XDH P47989 2/20 0.35
▸ PTGDR2 Q9Y5Y4 4/20 0.33
▸ AR P10275 1/20 0.33
▸ SCN7A Q01118 1/20 0.32
▸ SCN5A Q14524 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
SCHEMBL23677149 0.90 SCN9A (0.38) SCN9AKCNH2MRGPRX4XDHPTGDR2
SCHEMBL19411383 0.84 SCN9A (0.51) SCN9AKCNH2MRGPRX4XDHPTGDR2
SCHEMBL19429991 0.83 SCN9A (0.63) SCN9AKCNH2MRGPRX4XDHPTGDR2
SCHEMBL19411409 0.79 SCN9A (0.46) SCN9AKCNH2MRGPRX4XDHPTGDR2
SCHEMBL19411404 0.79 SCN9A (0.51) SCN9ASCN7ASCN5A
SCHEMBL22912670 0.78 SCN9A (0.44) SCN9AKCNH2MRGPRX4SCN7ASCN5A
SCHEMBL23677146 0.73 SCN9A (0.67) SCN9ASCN7ASCN5A
SCHEMBL23677150 0.67 SCN9A (0.46) SCN9AKCNH2
SCHEMBL16239866 0.65 SCN9A (0.60) SCN9ASCN5A
SCHEMBL17423019 0.63 SCN9A (0.82) SCN9ASCN7ASCN5A

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
EP-3854782-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF Genentech, Inc. (US) 2021-07-28 — — EP disclosed
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