SCHEMBL2373424

SCHEMBL2373424

COc1ccccc1CC(=O)N1CCc2cc(-c3c(N)sc4ccncc34)ccc21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP11B2 P19099 7/20 0.46
CYP11B1 P15538 7/20 0.46
EIF2AK3 Q9NZJ5 8/20 0.44
EIF2AK1 Q9BQI3 2/20 0.43
LCK P06239 1/20 0.42
AURKB Q96GD4 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL869352 0.76 EIF2AK3 (0.75) MEN1KMT2AEIF2AK3EIF2AK1LCK
SCHEMBL13860400 0.74 KMT2A (0.60) MEN1KMT2ACYP11B2CYP11B1EIF2AK3
SCHEMBL2374826 0.71 EIF2AK3 (0.56) CYP11B2CYP11B1EIF2AK3EIF2AK1LCK
SCHEMBL868654 0.70 EIF2AK3 (0.76) EIF2AK3
SCHEMBL869583 0.70 EIF2AK3 (0.81) EIF2AK3EIF2AK1LCKAURKB
SCHEMBL2374124 0.69 EIF2AK3 (0.69) CYP11B2CYP11B1EIF2AK3EIF2AK1LCK
SCHEMBL2075388 0.66 SCN3A (0.65) MEN1KMT2ALMNAGAA
SCHEMBL4527947 0.64 CYP11B1 (0.78) CYP11B2CYP11B1EIF2AK3EIF2AK1LCK
SCHEMBL869382 0.64 EIF2AK3 (0.76) CYP11B2CYP11B1EIF2AK3EIF2AK1LCK
SCHEMBL2374711 0.64 EIF2AK3 (0.71) CYP11B2CYP11B1EIF2AK3SMN1; SMN2NPC1

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