SCHEMBL8616616

SCHEMBL8616616

CC(=O)ON=C1C(=O)Nc2c(cccc2[N+](=O)[O-])C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
S100A4 P26447 2/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
POLB P06746 3/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
PTPRC P08575 1/20 0.36
LIG1 P18858 1/20 0.35
XDH P47989 1/20 0.35

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
SCHEMBL505409 0.76 S100A4 (0.55) S100A4SMN1; SMN2KMT2AMEN1POLB
SCHEMBL7055054 0.74 KMT2A (0.50) SMN1; SMN2KMT2AMEN1POLBMAPT
SCHEMBL7051530 0.74 CCNB2 (0.35) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL7054965 0.74 TSHR (0.36) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL7051585 0.70 TSHR (0.34) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL7049495 0.68 UCHL3 (0.38) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL7056649 0.67 CCNB2 (0.35) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL7049393 0.67 TSHR (0.36) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL7051088 0.66 KMT2A (0.50) SMN1; SMN2KMT2AMEN1POLBMAPT
SCHEMBL7053822 0.64 CCNB2 (0.35) CCNB2CDK1CCNB1GSK3AGSK3B

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-0706396-A4 1,2,3,4-TETRAHYDROQUINOLINE-2,3,4-TRIONE-3 OR 4-OXIMES AND USE OREGON STATE (US) 1998-12-09 EP disclosed
EP-0706396-A1 1,2,3,4-TETRAHYDROQUINOLINE-2,3,4-TRIONE-3 OR 4-OXIMES AND USE STATE OF OREGON ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 1996-04-17 EP disclosed
WO-1994027605-A1 1,2,3,4-TETRAHYDROQUINOLINE-2,3,4-TRIONE-3 OR 4-OXIMES AND USE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE, OREGON (US) 1994-12-08 WO disclosed