SCHEMBL14637726

SCHEMBL14637726

N#Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1.N#Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 5/20 0.66
XDH P47989 1/20 0.45
GPR35 Q9HC97 1/20 0.42
ALDH1A1 P00352 2/20 0.42
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
LMNA P02545 1/20 0.39
MERTK Q12866 1/20 0.39

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
SCHEMBL4665872 0.94 VCAM1 (0.58) VCAM1XDHGPR35ALDH1A1LMNA
SCHEMBL11871225 0.83 VCAM1 (0.65) VCAM1XDHGPR35ALDH1A1LMNA
SCHEMBL22322115 0.81 VCAM1 (0.46) VCAM1XDHGPR35ALDH1A1LMNA
SCHEMBL1005421 0.81 VCAM1 (1.00) VCAM1XDHALDH1A1GRIN2DGRIN3B
SCHEMBL645653 0.79 VCAM1 (1.00) VCAM1GPR35ALDH1A1GRIN2DGRIN3B
SCHEMBL6431969 0.78 ALDH1A1 (0.64) VCAM1XDHGPR35ALDH1A1LMNA
SCHEMBL11504122 0.78 VCAM1 (0.64) VCAM1GPR35ALDH1A1
SCHEMBL31419521 0.78 VCAM1 (0.64) VCAM1GPR35ALDH1A1
SCHEMBL7090977 0.77 VCAM1 (0.91) VCAM1XDHALDH1A1GRIN2DGRIN3B
SCHEMBL3771130 0.76 VCAM1 (0.74) VCAM1XDHGPR35ALDH1A1GRIN2D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2732000-A1 CYANOACRYLATE COMPOSITIONS Henkel Ireland Limited (DE) 2014-05-21 EP claimed
WO-2013011421-A1 CYANOACRYLATE COMPOSITIONS HENKEL IRELAND LIMITED (IE) 2013-01-24 WO claimed