SCHEMBL11032808

SCHEMBL11032808

C=CC(OC(=O)OC(C=C)c1c(Br)cc(C#N)cc1[N+](=O)[O-])c1c(Br)cc(C#N)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.40
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
MTOR P42345 1/20 0.34
PLK1 P53350 1/20 0.34
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CCR6 P51684 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
TTR P02766 1/20 0.33
ALB P02768 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOA P21397 1/20 0.31

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
SCHEMBL11032811 0.92 VCAM1 (0.40) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11031522 0.92 VCAM1 (0.40) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11033842 0.77 VCAM1 (0.39) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11033845 0.72 VCAM1 (0.39) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11033844 0.71 VCAM1 (0.38) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11033847 0.71 VCAM1 (0.38) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11027338 0.70 VCAM1 (0.44) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11034537 0.70 VCAM1 (0.51) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11032697 0.70 TDP1 (0.49) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11028679 0.70 VCAM1 (0.39) VCAM1GRIN2DGRIN3BGRIN1GRIN2A

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-4486222-A POSTEMERGENCE CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1984-12-04 US disclosed