SCHEMBL2829676

SCHEMBL2829676

NC(=O)c1ccc(N2CCN(C(=O)CNC(=O)c3cccc(O)c3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
GAA P10253 2/20 0.56
POLB P06746 2/20 0.53
RAB9A P51151 1/20 0.51
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
EIF4H Q15056 1/20 0.48
THRA P10827 1/20 0.47
VDR P11473 1/20 0.47
P2RY12 Q9H244 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
KCNH2 Q12809 1/20 0.46
DRD2 P14416 1/20 0.45
ADRA1A P35348 1/20 0.45
DRD3 P35462 1/20 0.45
PARP14 Q460N5 3/20 0.44
PARP10 Q53GL7 3/20 0.44
PARP1 P09874 1/20 0.44

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
SCHEMBL2829679 0.90 KMT2A (0.62) KMT2AGAAPOLBRAB9AKDM4E
SCHEMBL2309688 0.84 MAPT (0.64) KMT2AGAAPOLBRAB9AKDM4E
SCHEMBL2309376 0.83 KMT2A (0.70) KMT2AGAAPOLBRAB9AKDM4E
SCHEMBL2827204 0.82 KMT2A (0.53) KMT2AGAAPOLBRAB9AKDM4E
SCHEMBL988322 0.81 MAPT (0.57) KMT2AGAAPOLBRAB9AKDM4E
SCHEMBL4497741 0.78 KMT2A (0.81) KMT2AGAAPOLBRAB9ALMNA
SCHEMBL4499146 0.74 KMT2A (0.82) KMT2AGAAPOLBRAB9AKDM4E
SCHEMBL4489544 0.74 KMT2A (0.75) KMT2AGAARAB9AKDM4ELMNA
SCHEMBL2311978 0.74 KMT2A (0.58) KMT2AGAAPOLBKDM4ELMNA
SCHEMBL2312607 0.72 GAA (0.61) KMT2AGAAPOLBRAB9AKDM4E

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