SCHEMBL11035522

SCHEMBL11035522

N#Cc1cc(Br)c(COC(=O)OCc2c(Br)cc(C#N)cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.45
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
MTOR P42345 1/20 0.38
PLK1 P53350 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
TTR P02766 1/20 0.37
ALB P02768 1/20 0.37
MAPT P10636 4/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
KAT2B Q92831 1/20 0.34

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
SCHEMBL11035525 0.91 VCAM1 (0.44) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11028347 0.91 VCAM1 (0.44) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11030259 0.81 VCAM1 (0.42) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11031270 0.74 VCAM1 (0.41) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11033845 0.74 VCAM1 (0.39) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2085253 0.74 VCAM1 (0.66) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11034541 0.74 VCAM1 (0.50) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1735159 0.73 MEN1 (0.60) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24129394 0.72 MEN1 (0.44) KMT2AMEN1TTRALBMAPT
SCHEMBL11027338 0.72 VCAM1 (0.44) 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 claimed