SCHEMBL8617982

SCHEMBL8617982

CCOP(=O)(CCn1c(=O)c(=O)[nH]c2cc(-c3ncc[nH]3)c3ccccc3c21)OCC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32

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
SCHEMBL8622985 0.91 KMT2A (0.33) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8624212 0.86 PARP1 (0.34) PLK1PARP1IDO1KDM4EALDH1A1
SCHEMBL8623556 0.80 GRIN2D (0.41) PARP1IDO1KDM4EALDH1A1GAA
SCHEMBL8618696 0.80 PLK1 (0.31) PLK1PSEN1PSEN2APH1BNCSTN
SCHEMBL8805875 0.72 IDO1 (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8618027 0.70 PARP1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8623703 0.68 PDE9A (0.32) PARP1KMT2AKDM4EALDH1A1RXFP1
SCHEMBL8624846 0.68 GRIN2D (0.41) IDO1KDM4EALDH1A1GAARXFP1
SCHEMBL8621714 0.68 ALDH1A1 (0.40) PARP1POLBKMT2AKDM4EALDH1A1
SCHEMBL8617971 0.67 SIRT2 (0.40) KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5710138-A Benzo f!quinoxalinedione derivatives, their production and use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed