SCHEMBL5169447

SCHEMBL5169447

COC(=O)Oc1ccc(-c2ccc(N)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.45
MAPK1 P28482 1/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
BLM P54132 1/20 0.45
CASP6 P55212 1/20 0.45
GFER P55789 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 2/20 0.43
TP53 P04637 2/20 0.42
HSD17B10 Q99714 3/20 0.42
APP P05067 1/20 0.42
NR4A1 P22736 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 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
SCHEMBL9200842 0.94 TDP1 (0.50) TDP1MAPK1MAPTKDM4EGLA
SCHEMBL8779173 0.90 KMT2A (0.52) MAPTKDM4EGAAKMT2AMEN1
SCHEMBL676909 0.83 KMT2A (0.58) MAPTKDM4EGAAKMT2AMEN1
SCHEMBL2058536 0.82 GAA (0.55) TDP1MAPTKDM4EGAAKMT2A
SCHEMBL7766958 0.82 ESR2 (0.57) TDP1MAPK1MAPTKDM4EGLA
SCHEMBL14205190 0.82 LMNA (0.55) TDP1MAPTGAAKMT2AMEN1
SCHEMBL2132487 0.81 TDP1 (0.50) TDP1MAPK1MAPTKDM4EGLA
SCHEMBL6228012 0.81 SLC6A3 (0.47) MAPK1MAPTKDM4EKMT2AMEN1
SCHEMBL28530767 0.81 KMT2A (0.49) THRBKMT2AMEN1HPGDSMN1; SMN2
SCHEMBL28613359 0.80 HSD17B10 (0.52) TDP1MAPTKDM4EGAAKMT2A

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-1487834-B1 AZA-BICYCLIC N-BIARYLAMIDES WITH AFFINITY FOR THE ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR BAYER HEALTHCARE AG (DE) 2007-04-25 EP disclosed
EP-1487834-A1 AZA-BICYCLIC N-BIARYLAMIDES WITH AFFINITY FOR THE ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR Bayer Aktiengesellschaft (DE) 2004-12-22 EP disclosed
WO-2003078431-A1 AZA-BICYCLIC N-BIARYLAMIDES WITH AFFINITY FOR THE ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR BAYER HEALTHCARE AG (DE) 2003-09-25 WO disclosed