SCHEMBL23677149

SCHEMBL23677149

Cc1ccc(OCc2cc(F)c(C(=O)[SH](N=N)C3CC3)cc2C2CC2)c(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 6/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ XDH P47989 3/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ NR1H4 Q96RI1 1/20 0.33
▸ PTGDR2 Q9Y5Y4 2/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ AOC3 Q16853 1/20 0.32
▸ MRGPRX4 Q96LA9 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 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
SCHEMBL23677194 0.90 SCN9A (0.44) SCN9AKCNH2XDHPTGDR2MRGPRX4
SCHEMBL19411383 0.73 SCN9A (0.51) SCN9AKCNH2XDHPTGDR2MRGPRX4
SCHEMBL19429991 0.72 SCN9A (0.63) SCN9AKCNH2XDHPTGDR2AOC3
SCHEMBL23677150 0.71 SCN9A (0.46) SCN9AKCNH2NPC1RAB9AHPGD
SCHEMBL19411409 0.71 SCN9A (0.46) SCN9AKCNH2XDHPTGDR2MRGPRX4
SCHEMBL19411404 0.69 SCN9A (0.51) SCN9A
SCHEMBL22912670 0.68 SCN9A (0.44) SCN9AKCNH2MRGPRX4
SCHEMBL23677146 0.68 SCN9A (0.67) SCN9A
SCHEMBL12326824 0.61 DRD4 (0.42) PTGDR2ALDH1A1HPGD
SCHEMBL19429995 0.60 SCN9A (0.67) SCN9AKCNH2

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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