SCHEMBL8019170

SCHEMBL8019170

COc1ccc(CCNC(=O)C(C)(C)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
KMT2A Q03164 3/20 0.54
GLA P06280 1/20 0.54
TAAR1 Q96RJ0 2/20 0.50
NPC1 O15118 1/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 1/20 0.49
MEN1 O00255 2/20 0.48
FPR2 P25090 1/20 0.48
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
PTPN1 P18031 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL18257113 0.87 KDM4E (0.51) SMN1; SMN2NPC1GAARAB9AKDM4E
SCHEMBL8757522 0.86 GLA (0.67) SMN1; SMN2KMT2AGLATAAR1NPC1
SCHEMBL29481026 0.86 GAA (0.50) SMN1; SMN2TAAR1NPC1GAARAB9A
SCHEMBL3661534 0.85 SMN1; SMN2 (0.60) SMN1; SMN2KMT2AGLATAAR1NPC1
SCHEMBL3656770 0.82 SMN1; SMN2 (0.63) SMN1; SMN2KMT2AGLATAAR1NPC1
SCHEMBL10266158 0.79 SMN1; SMN2 (0.61) SMN1; SMN2KMT2AGLATAAR1NPC1
SCHEMBL7098744 0.79 SMN1; SMN2 (0.55) SMN1; SMN2KMT2AGLATAAR1NPC1
SCHEMBL2746054 0.78 SMN1; SMN2 (0.65) SMN1; SMN2KMT2AGLATAAR1NPC1
SCHEMBL3657319 0.78 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AGLATAAR1NPC1
SCHEMBL140038 0.76 SMN1; SMN2 (0.67) SMN1; SMN2KMT2AGLATAAR1ALDH1A1

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-2009079624-A1 4-IMIDAZOLIDINONES AS KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2009-06-25 WO disclosed