SCHEMBL21390175

SCHEMBL21390175

C=C(CC(C)NC)NC(=O)c1ccc2cc(Cl)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 5/20 0.38
▸ ATF4 P18848 8/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL23332748 0.81 MAPT (0.39) SCN9AATF4NPC1RAB9ASMN1; SMN2
SCHEMBL28430157 0.69 RAB9A (0.51) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL28071638 0.69 RXFP1 (0.56) NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL28433205 0.68 SMN1; SMN2 (0.70) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL740617 0.68 MGAM (0.56) SMN1; SMN2MAPTL3MBTL1HDAC1HDAC2
SCHEMBL23332818 0.66 ATF4 (0.42) SCN9AATF4MAPTL3MBTL1HDAC1
SCHEMBL5625543 0.66 GRM2 (0.47) SCN9AMAPTHDAC1HDAC2
SCHEMBL8298139 0.65 CNR2 (0.49) NPC1RAB9ASMN1; SMN2MAPTHDAC1
SCHEMBL28896405 0.64 CNR1 (0.60) SCN9AATF4NPC1RAB9AL3MBTL1
SCHEMBL3133343 0.64 HSD17B14 (0.50) SCN9ANPC1RAB9ASMN1; SMN2SCN10A

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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