SCHEMBL2374711

SCHEMBL2374711

O=C(Cc1cc(F)ccc1F)N1CCc2cc(-c3coc4ccncc34)ccc21

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 12/20 0.71
CYP11B2 P19099 6/20 0.47
CYP11B1 P15538 5/20 0.47
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL13858356 0.85 EIF2AK3 (0.60) EIF2AK3CYP11B2CYP11B1MAPK1
SCHEMBL2373614 0.83 EIF2AK3 (0.51) EIF2AK3CYP11B2CYP11B1NPC1TP53
SCHEMBL869562 0.83 EIF2AK3 (1.00) EIF2AK3MAPK1
SCHEMBL27975806 0.78 EIF2AK3 (0.74) EIF2AK3CYP11B2CYP11B1
SCHEMBL30361395 0.77 EIF2AK3 (1.00) EIF2AK3
SCHEMBL869204 0.77 EIF2AK3 (1.00) EIF2AK3
SCHEMBL868645 0.77 EIF2AK3 (0.74) EIF2AK3
SCHEMBL869888 0.77 EIF2AK3 (0.74) EIF2AK3
SCHEMBL869091 0.77 EIF2AK3 (0.74) EIF2AK3
SCHEMBL868773 0.77 EIF2AK3 (0.69) EIF2AK3CYP11B2CYP11B1MAPK1

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