SCHEMBL11939746

SCHEMBL11939746

Cc1c(C#N)cc([N+](=O)[O-])cc1C#N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.61
XDH P47989 1/20 0.56
TSHR P16473 3/20 0.50
CYP19A1 P11511 1/20 0.48
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
LMNA P02545 5/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RECQL P46063 1/20 0.42
HTT P42858 2/20 0.42
GLA P06280 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL14162639 0.90 VCAM1 (0.55) VCAM1XDHTSHRCYP19A1GRIN2D
SCHEMBL11443460 0.89 VCAM1 (0.53) VCAM1XDHTSHRCYP19A1GRIN2D
SCHEMBL29666289 0.89 VCAM1 (0.53) VCAM1XDHTSHRCYP19A1GRIN2D
SCHEMBL11939743 0.87 VCAM1 (0.60) VCAM1XDHTSHRCYP19A1GRIN2D
SCHEMBL11921126 0.87 VCAM1 (0.52) VCAM1XDHTSHRCYP19A1GRIN2D
SCHEMBL11920911 0.87 VCAM1 (0.52) VCAM1XDHTSHRCYP19A1GRIN2D
SCHEMBL44816 0.83 VCAM1 (0.47) VCAM1XDHTSHRGRIN2DGRIN3B
SCHEMBL2967615 0.80 XDH (0.66) VCAM1XDHTSHRCYP19A1LMNA
SCHEMBL6431811 0.80 ALDH1A1 (0.59) VCAM1XDHTSHRCYP19A1LMNA
SCHEMBL6436847 0.80 VCAM1 (0.56) VCAM1XDHTSHRCYP19A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2992054-B1 ALKOXYLATED BIS AZO DYES UNILEVER PLC (GB) 2017-01-04 EP disclosed
EP-2167496-B1 AZO DYES HUNTSMAN ADV MAT SWITZERLAND (CH) 2014-09-24 EP disclosed
US-8231691-B2 Azo dyes HUNTSMAN INTERNATIONAL LLC (US) 2012-07-31 US disclosed
US-8226758-B2 Disperse dyes mixtures DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2012-07-24 US disclosed
US-20100196676-A1 AZO DYES HUNTSMAN INTERNATIONAL LLC (US) 2010-08-05 US disclosed
US-20100071589-A1 DISPERSE DYES MIXTURES DYSTAR TEXTIFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2010-03-25 US disclosed
WO-2009013122-A2 AZO DYES HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2009-01-29 WO disclosed
WO-2008074719-A1 DISPERSE DYES MIXTURES DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2008-06-26 WO disclosed