SCHEMBL11032697

SCHEMBL11032697

CC(C)OC(=O)Oc1c(Br)cc(C#N)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
VCAM1 P19320 3/20 0.41
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
MTOR P42345 1/20 0.35
PLK1 P53350 1/20 0.35
MEN1 O00255 1/20 0.33
TTR P02766 1/20 0.33
ALB P02768 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
GPR35 Q9HC97 1/20 0.32
MAPT P10636 3/20 0.32
GRM6 O15303 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
SCHEMBL11027338 0.89 VCAM1 (0.44) TDP1VCAM1GRIN2DGRIN3BGRIN1
SCHEMBL11175374 0.85 VCAM1 (0.39) TDP1VCAM1GRIN2DGRIN3BGRIN1
SCHEMBL11031270 0.83 VCAM1 (0.41) TDP1VCAM1GRIN2DGRIN3BGRIN1
SCHEMBL11028679 0.80 VCAM1 (0.39) TDP1VCAM1GRIN2DGRIN3BGRIN1
SCHEMBL11030903 0.80 VCAM1 (0.39) TDP1VCAM1GRIN2DGRIN3BGRIN1
SCHEMBL11028674 0.80 VCAM1 (0.40) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1734088 0.77 VCAM1 (0.51) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11033029 0.77 VCAM1 (0.42) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7718151 0.75 MEN1 (0.40) MEN1TTRALBKMT2ACYP1A2
SCHEMBL11033842 0.71 VCAM1 (0.39) TDP1VCAM1GRIN2DGRIN3BGRIN1

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
US-4486222-A POSTEMERGENCE CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1984-12-04 US disclosed
EP-0092632-A1 New benzonitrile derivatives, method for their preparation and herbicidal compositions CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1983-11-02 EP disclosed
EP-0085756-A1 Process for preparing 1-substituted-6-n-propyl-8-methylimidazo(1,5-d)-as-triazin-4(3H)-ones AMERICAN CYANAMID COMPANY (US) 1983-08-17 EP disclosed