SCHEMBL21621148

SCHEMBL21621148

O=C(COc1ccc(Cl)c(Cl)c1)NC12CC1(COC(=O)Nc1ccc(Cl)c(F)c1)C2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 15/20 0.47
▸ HDAC4 P56524 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL21621068 0.93 HDAC4 (0.44) ATF4HDAC4ALDH1A1GAAMEN1
SCHEMBL21621065 0.93 ATF4 (0.45) ATF4MEN1MAPTKMT2A
SCHEMBL21621077 0.90 NPC1 (0.48) ATF4ALDH1A1GAAMAPTMAPK1
SCHEMBL21621133 0.89 ATF4 (0.48) ATF4MEN1KMT2A
SCHEMBL23773229 0.87 ATF4 (0.54) ATF4HDAC4
SCHEMBL23773253 0.83 ATF4 (0.56) ATF4HDAC4MEN1MAPTMAPK1
SCHEMBL23773390 0.83 ATF4 (0.58) ATF4
SCHEMBL23773235 0.80 ATF4 (0.55) ATF4
SCHEMBL21621143 0.80 ATF4 (0.53) ATF4
SCHEMBL23773097 0.79 ATF4 (0.49) ATF4HDAC4MEN1MAPTMAPK1

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-2020012339-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-01-16 — — WO disclosed
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