SCHEMBL3655080

SCHEMBL3655080

COc1ccc(CCNC(=O)CN(C)Cc2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.73
KMT2A Q03164 4/20 0.73
RAB9A P51151 2/20 0.73
ALDH1A1 P00352 3/20 0.65
PTPN1 P18031 1/20 0.62
GAA P10253 3/20 0.60
MAPT P10636 1/20 0.60
KDM4E B2RXH2 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
NPC1 O15118 1/20 0.59
TAAR1 Q96RJ0 1/20 0.59
ACHE P22303 1/20 0.59
PLAAT3 P53816 1/20 0.58
PLAAT5 Q96KN8 1/20 0.58
PLAAT2 Q9NWW9 1/20 0.58
PLAAT4 Q9UL19 1/20 0.58
HSD17B10 Q99714 1/20 0.57
HPGD P15428 1/20 0.57

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
SCHEMBL17117491 0.89 MEN1 (0.84) MEN1KMT2ARAB9AALDH1A1GAA
SCHEMBL17117334 0.81 KMT2A (0.85) MEN1KMT2ARAB9AALDH1A1GAA
SCHEMBL8691052 0.81 MAPT (0.76) RAB9AALDH1A1PTPN1GAAMAPT
SCHEMBL3655081 0.79 PTPN1 (0.67) MEN1KMT2ARAB9AALDH1A1PTPN1
SCHEMBL11426452 0.79 SMN1; SMN2 (0.57) MEN1KMT2AALDH1A1PTPN1TAAR1
SCHEMBL12773610 0.78 SMN1; SMN2 (0.75) MEN1KMT2AALDH1A1PTPN1TAAR1
SCHEMBL14068428 0.77 MEN1 (0.59) MEN1KMT2ARAB9AALDH1A1GAA
SCHEMBL6530877 0.77 SMN1; SMN2 (0.69) MEN1KMT2ARAB9AALDH1A1PTPN1
SCHEMBL13073723 0.76 MEN1 (0.63) MEN1KMT2ARAB9AALDH1A1GAA
SCHEMBL8325463 0.76 ACHE (0.63) MEN1KMT2AALDH1A1GAAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234615-A1 4-IMIDAZOLIDINONES AS KV1.5 POTASSIUM CHANNEL INHIBITORS Wyeth LLC (US) 2010-10-06 EP disclosed
WO-2009079624-A1 4-IMIDAZOLIDINONES AS KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2009-06-25 WO disclosed
WO-2009079624-A1 4-IMIDAZOLIDINONES AS KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2009-06-25 WO disclosed