SCHEMBL21390322

SCHEMBL21390322

CNC12CC1(NC(=O)c1ccc3cc(C(F)(F)F)ccc3n1)C2

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 1/20 0.48
▸ SCN9A Q15858 19/20 0.48
▸ SCN10A Q9Y5Y9 4/20 0.48
▸ SCN7A Q01118 2/20 0.42
▸ KCNH2 Q12809 2/20 0.42
▸ SCN5A Q14524 2/20 0.42

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
SCHEMBL21390140 0.86 ATF4 (0.47) ATF4SCN9ASCN10ASCN7AKCNH2
SCHEMBL23333308 0.86 ATF4 (0.54) ATF4SCN9ASCN10ASCN7AKCNH2
SCHEMBL21384521 0.80 ATF4 (0.55) ATF4SCN9ASCN10ASCN7AKCNH2
SCHEMBL21390178 0.79 ATF4 (0.54) ATF4SCN9ASCN10ASCN7AKCNH2
Hydrochloric Acid SCHEMBL23294630 0.79 ATF4 (0.54) ATF4SCN9ASCN10ASCN7AKCNH2
SCHEMBL21390101 0.78 ATF4 (0.44) ATF4SCN9ASCN10ASCN7AKCNH2
SCHEMBL21390151 0.77 ATF4 (0.55) ATF4SCN9ASCN10ASCN7AKCNH2
SCHEMBL30387658 0.74 BACE1 (0.58) SCN9ASCN10ASCN7AKCNH2SCN5A
SCHEMBL27902504 0.74 BACE1 (0.58) SCN9ASCN10ASCN7AKCNH2SCN5A
SCHEMBL5474090 0.74 BACE1 (0.51) SCN9ASCN10ASCN7AKCNH2SCN5A

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-2019183589-A1 MODULATORS OF EUKARYOTIC INITIATION FACTOR 2 DENALI THERAPEUTICS INC. (US) 2019-09-26 — — WO disclosed
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