SCHEMBL2822446

SCHEMBL2822446

NC(=O)c1ccc(N2CCN(C(=O)CCC(=O)c3ccc(O)cc3)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.77
GAA P10253 5/20 0.77
POLB P06746 2/20 0.60
KDM4E B2RXH2 2/20 0.59
PKM P14618 1/20 0.59
RECQL P46063 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ME2 P23368 5/20 0.55
ME1 P48163 5/20 0.55
ME3 Q16798 5/20 0.55
NPC1 O15118 2/20 0.52
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 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
SCHEMBL2822450 0.90 MAPT (0.77) MAPTGAAPOLBKDM4EPKM
SCHEMBL4994231 0.82 MAPT (0.53) MAPTGAAPOLBKDM4EME2
SCHEMBL6779212 0.81 MAPT (0.63) MAPTGAAPOLBKMT2AMEN1
SCHEMBL2306481 0.79 MAPT (0.65) MAPTGAAPOLBKDM4EPKM
SCHEMBL3083321 0.77 MAPT (0.71) MAPTGAAPOLBNPC1KMT2A
SCHEMBL4989513 0.77 CHRNA7 (0.58) MAPTPOLBKDM4EKMT2AALDH1A1
SCHEMBL2308856 0.75 KMT2A (0.71) MAPTGAAPOLBKDM4EPKM
SCHEMBL3090713 0.75 POLB (0.77) MAPTGAAPOLBKDM4EL3MBTL1
SCHEMBL2308675 0.73 MAPT (0.55) MAPTGAAPOLBKDM4EKMT2A
SCHEMBL10981623 0.72 ME2 (0.64) MAPTGAAPOLBKDM4EPKM

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
WO-2010028776-A1 PIPERAZINE DERIVATIVES FOR BINDING AND IMAGING AMYLOID PLAQUES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-03-18 WO disclosed
EP-2163541-A1 Piperazine derivatives for binding and imaging amyloid plaques and their use Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-17 EP disclosed