SCHEMBL3720067

SCHEMBL3720067

CC(=O)c1ccc2nc(Oc3ccc(Oc4nccs4)cc3C)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.46
HPGDS O60760 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
SCN7A Q01118 3/20 0.35
KCNH2 Q12809 3/20 0.35
SCN9A Q15858 1/20 0.35
PPARG P37231 3/20 0.34
SCN5A Q14524 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33

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
SCHEMBL3719879 0.83 ACACB (0.42) ACACBACACAP2RX3P2RX2
SCHEMBL3720071 0.83 PDE4B (0.49) PDE4BSMN1; SMN2SCN7AKCNH2SCN9A
SCHEMBL3719881 0.82 MTNR1A (0.46) SMN1; SMN2SCN9AACACBMAPT
SCHEMBL3717034 0.82 SCN7A (0.49) PDE4BSMN1; SMN2SCN7AKCNH2PPARG
SCHEMBL3720433 0.82 SCN7A (0.49) PDE4BSMN1; SMN2SCN7AKCNH2PPARG
SCHEMBL3720069 0.82 CHRM5 (0.34) SCN7AKCNH2PPARGSCN5ASCN2A
SCHEMBL3727930 0.81 SCN9A (0.34) SCN7AKCNH2SCN9AACACBACACA
SCHEMBL3721868 0.80 PDE4B (0.48) PDE4BSCN7AKCNH2SCN9AMAPT
SCHEMBL3720755 0.80 PDE4B (0.46) PDE4BSMN1; SMN2PPARGMAPTALDH1A1
SCHEMBL3719589 0.80 MAPT (0.34) SCN7AKCNH2SCN9ASCN5ASCN2A

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-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed