SCHEMBL5014343

SCHEMBL5014343

COc1ccc(CN2C(=O)CC(=O)NC2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 1.00
KMT2A Q03164 6/20 1.00
MAPT P10636 4/20 1.00
ALDH1A1 P00352 3/20 1.00
L3MBTL1 Q9Y468 3/20 0.77
BLM P54132 1/20 0.77
CMA1 P23946 1/20 0.58
RAB9A P51151 1/20 0.57
GAA P10253 2/20 0.57
APAF1 O14727 1/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
GSK3A P49840 2/20 0.55
GSK3B P49841 2/20 0.55
KDM4E B2RXH2 1/20 0.54
HTT P42858 1/20 0.54
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL8117134 0.81 CMA1 (0.77) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL18835712 0.80 MEN1 (0.67) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL30998816 0.80 ALDH1A1 (0.72) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL7734082 0.80 MEN1 (0.66) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL77739 0.79 KMT2A (0.73) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL15419594 0.79 KMT2A (0.65) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL6407514 0.78 MEN1 (0.64) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL10841325 0.77 MEN1 (0.63) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL41389 0.77 CMA1 (0.70) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL10341833 0.76 CMA1 (0.64) MEN1KMT2AMAPTALDH1A1L3MBTL1

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-1888597-A2 ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2008-02-20 EP disclosed
WO-2006120563-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2006-11-16 WO disclosed