SCHEMBL8086289

SCHEMBL8086289

C=C(C#N)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 3/20 0.47
HSP90AA1 P07900 1/20 0.47
HTT P42858 1/20 0.47
MMP3 P08254 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
PTPN1 P18031 1/20 0.43
CDC25B P30305 1/20 0.43
PLK1 P53350 1/20 0.43
CYP1A2 P05177 3/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 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
SCHEMBL143957 0.80 PTK2B (0.55) PTK2BL3MBTL1NR4A1NR4A2NR4A3
SCHEMBL1869296 0.76 PTK2B (0.59) PTK2BL3MBTL1NR4A1NR4A2NR4A3
SCHEMBL9442057 0.76 NR4A1 (0.59) PTK2BL3MBTL1NR4A1NR4A2NR4A3
SCHEMBL11568838 0.76 PTK2B (0.46) PTK2BL3MBTL1NR4A1NR4A2NR4A3
SCHEMBL14977492 0.75 PTK2B (0.53) PTK2BL3MBTL1NR4A1NR4A2NR4A3
SCHEMBL5999394 0.74 PTK2B (0.57) PTK2BL3MBTL1NR4A1NR4A2NR4A3
SCHEMBL146735 0.74 NR4A1 (0.61) PTK2BL3MBTL1NR4A1NR4A2NR4A3
SCHEMBL2914523 0.73 ALDH1A1 (0.53) PTK2BL3MBTL1NR4A1NR4A2NR4A3
SCHEMBL13966683 0.73 NR4A1 (0.46) PTK2BL3MBTL1NR4A1NR4A2NR4A3
SCHEMBL2914526 0.73 ALDH1A1 (0.53) PTK2BL3MBTL1NR4A1NR4A2NR4A3

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
CN-109535030-A It is a kind of using formamide as the preparation method of the acrylonitrile compound in cyanogen source 湘潭大学 2019-03-29 CN disclosed
US-20100041775-A1 Inorganic nanoparticle dispersion liquid and method for producing the same, and composite composition FUJIFILM CORPORATION (JP) 2010-02-18 US disclosed
US-20100041775-A1 Inorganic nanoparticle dispersion liquid and method for producing the same, and composite composition FUJIFILM CORPORATION (JP) 2010-02-18 US disclosed
WO-2009151143-A1 INORGANIC FINE PARTICLE DISPERSION, ORGANIC-INORGANIC HYBRID COMPOSITION, SHAPED ARTICLE AND OPTICAL COMPONENT FUJIFILM CORPORATION (JP) 2009-12-17 WO disclosed
EP-0901453-B1 METHOD FOR ORGANIC REACTIONS LABWELL AB (SE) 2000-11-15 EP disclosed
US-6136157-A Method for organic reactions LABWELL AB (SE) 2000-10-24 US disclosed
EP-0901453-A1 METHOD FOR ORGANIC REACTIONS Labwell AB (SE) 1999-03-17 EP disclosed
WO-1997043230-A1 METHOD FOR ORGANIC REACTIONS LABWELL AB (SE) 1997-11-20 WO disclosed