SCHEMBL2373601

SCHEMBL2373601

CC(C)COC(=O)N1CCc2cc(-c3coc4ccnc(N)c34)ccc21

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 16/20 0.61
EIF2AK1 Q9BQI3 1/20 0.44
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.40
GFER P55789 1/20 0.40
KDR P35968 1/20 0.39
RIPK1 Q13546 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
SCHEMBL870192 0.85 EIF2AK3 (0.61) EIF2AK3EIF2AK1NPC1MAPTRAB9A
SCHEMBL27975489 0.84 EIF2AK3 (0.67) EIF2AK3EIF2AK1KDR
SCHEMBL2373042 0.84 EIF2AK3 (0.43) EIF2AK3EIF2AK1NPC1ALDH1A1MAPT
SCHEMBL868669 0.83 EIF2AK3 (0.68) EIF2AK3EIF2AK1KDR
SCHEMBL2375097 0.83 EIF2AK3 (0.65) EIF2AK3EIF2AK1NPC1ALDH1A1MAPT
SCHEMBL2374288 0.82 EIF2AK3 (0.45) EIF2AK3EIF2AK1ALDH1A1KDRRIPK1
SCHEMBL869570 0.76 EIF2AK3 (0.85) EIF2AK3EIF2AK1NPC1MAPTRAB9A
SCHEMBL868562 0.76 EIF2AK3 (0.72) EIF2AK3EIF2AK1RIPK1
SCHEMBL868264 0.76 EIF2AK3 (0.69) EIF2AK3EIF2AK1RIPK1
SCHEMBL869562 0.76 EIF2AK3 (1.00) EIF2AK3EIF2AK1RIPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2549868-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2013-01-30 EP disclosed
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed