SCHEMBL2829679

SCHEMBL2829679

Nc1ccc(N2CCN(C(=O)CNC(=O)c3cccc(O)c3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
GAA P10253 2/20 0.57
RAB9A P51151 1/20 0.52
POLB P06746 2/20 0.52
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
EIF4H Q15056 1/20 0.47
KCNH2 Q12809 1/20 0.46
THRA P10827 1/20 0.46
VDR P11473 1/20 0.46
P2RY12 Q9H244 1/20 0.45
CASP6 P55212 1/20 0.45
GFER P55789 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
DRD2 P14416 1/20 0.43
ADRA1A P35348 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL2829676 0.90 KMT2A (0.61) KMT2AGAARAB9APOLBKDM4E
SCHEMBL2309688 0.85 MAPT (0.64) KMT2AGAARAB9APOLBKDM4E
SCHEMBL2311978 0.83 KMT2A (0.58) KMT2AGAAPOLBKDM4EMAPT
SCHEMBL988322 0.82 MAPT (0.57) KMT2AGAARAB9APOLBKDM4E
SCHEMBL2309376 0.81 KMT2A (0.70) KMT2AGAARAB9APOLBKDM4E
SCHEMBL2827210 0.81 KMT2A (0.54) KMT2AGAARAB9APOLBKDM4E
SCHEMBL4497741 0.79 KMT2A (0.81) KMT2AGAARAB9APOLBMAPT
SCHEMBL4489544 0.75 KMT2A (0.75) KMT2AGAARAB9AKDM4EMAPT
SCHEMBL2312607 0.73 GAA (0.61) KMT2AGAARAB9APOLBKDM4E
SCHEMBL2312088 0.73 GAA (0.61) KMT2AGAARAB9APOLBKDM4E

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