SCHEMBL11033844

SCHEMBL11033844

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.38
HCAR3 P49019 2/20 0.35
MAPT P10636 5/20 0.34
MTOR P42345 1/20 0.33
PLK1 P53350 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
ALDH1A1 P00352 4/20 0.31
KMT2A Q03164 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31
TTR P02766 1/20 0.31
ALB P02768 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
SCHEMBL11033847 1.00 VCAM1 (0.38) VCAM1HCAR3MAPTMTORPLK1
SCHEMBL11033842 0.92 VCAM1 (0.39) VCAM1HCAR3MAPTMTORPLK1
SCHEMBL11033845 0.81 VCAM1 (0.39) VCAM1MAPTMTORPLK1GRIN2D
SCHEMBL11031522 0.77 VCAM1 (0.40) VCAM1MAPTMTORPLK1GRIN2D
SCHEMBL11032811 0.77 VCAM1 (0.40) VCAM1MAPTMTORPLK1GRIN2D
SCHEMBL11028347 0.72 VCAM1 (0.44) VCAM1MAPTMTORPLK1GRIN2D
SCHEMBL11035525 0.72 VCAM1 (0.44) VCAM1MAPTMTORPLK1GRIN2D
SCHEMBL11034542 0.72 VCAM1 (0.50) VCAM1MAPTMTORPLK1GRIN2D
SCHEMBL11032808 0.71 VCAM1 (0.40) VCAM1MAPTMTORPLK1GRIN2D
SCHEMBL11030259 0.71 VCAM1 (0.42) VCAM1MAPTMTORPLK1GRIN2D

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