SCHEMBL21390203

SCHEMBL21390203

O=C(COC1CC(OC(F)(F)F)C1)NC1CC(NC(=O)c2ccc3cc(Cl)ccc3n2)C2CC1C2

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 9/20 0.49
▸ F10 P00742 1/20 0.38
▸ SCN9A Q15858 10/20 0.37
▸ SCN7A Q01118 2/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ SCN5A Q14524 2/20 0.36

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
SCHEMBL21390249 0.83 ATF4 (0.63) ATF4KCNH2
SCHEMBL23294739 0.83 ATF4 (0.63) ATF4KCNH2
SCHEMBL21390251 0.81 ATF4 (0.51) ATF4F10SCN9ASCN7AKCNH2
SCHEMBL23332820 0.81 ATF4 (0.47) ATF4SCN9A
SCHEMBL21390328 0.81 ATF4 (0.51) ATF4F10SCN9ASCN7AKCNH2
SCHEMBL24997981 0.77 ATF4 (0.40) ATF4SCN9A
SCHEMBL30053049 0.77 ATF4 (0.40) ATF4SCN9A
SCHEMBL24997259 0.75 ATF4 (0.43) ATF4KCNH2
SCHEMBL23294632 0.73 ATF4 (0.54) ATF4KCNH2
SCHEMBL21390156 0.73 ATF4 (0.54) ATF4KCNH2

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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