SCHEMBL573134

SCHEMBL573134

N#Cc1cccc(N2CCCCCC2)c1C#N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
KDM4E B2RXH2 3/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
AR P10275 1/20 0.53
TDP1 Q9NUW8 1/20 0.50
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
MAPT P10636 3/20 0.47
POLB P06746 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
KEAP1 Q14145 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
CDC42BPA Q5VT25 1/20 0.43

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
SCHEMBL1871089 1.00 ALDH1A1 (0.67) ALDH1A1KDM4EL3MBTL1ARTDP1
SCHEMBL1878340 0.98 ALDH1A1 (0.69) ALDH1A1KDM4EL3MBTL1ARTDP1
SCHEMBL7528396 0.86 AR (0.62) ALDH1A1KDM4EL3MBTL1ARSMN1; SMN2
SCHEMBL1660394 0.86 AR (0.62) ALDH1A1KDM4EL3MBTL1ARSMN1; SMN2
SCHEMBL7524105 0.86 AR (0.62) ALDH1A1KDM4EL3MBTL1ARSMN1; SMN2
SCHEMBL31388194 0.86 AR (0.62) ALDH1A1KDM4EL3MBTL1ARSMN1; SMN2
SCHEMBL10330185 0.84 KDM4E (0.69) ALDH1A1KDM4EL3MBTL1ARTDP1
SCHEMBL1869179 0.84 KDM4E (0.53) ALDH1A1KDM4EL3MBTL1ARHPGD
SCHEMBL232795 0.84 ALDH1A1 (0.53) ALDH1A1KDM4EL3MBTL1HPGDHSD17B10
SCHEMBL829177 0.84 AR (0.65) ALDH1A1KDM4EL3MBTL1ARSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601556-A1 PHOTOREFRACTIVE COMPOSITION RESPONSIVE TO MULTIPLE LASER WAVELENGTHS ACROSS THE VISIBLE LIGHT SPECTRUM Nitto Denko Corporation (JP) 2013-06-12 EP disclosed
CN-103124924-A Photorefractive composition responsive to multiple laser wavelengths across the visible light spectrum NITTO DENKO CORP 2013-05-29 CN disclosed
US-20130128339-A1 PHOTOREFRACTIVE COMPOSITION RESPONSIVE TO MULTIPLE LASER WAVELENGTHS ACROSS THE VISIBLE LIGHT SPECTRUM NITTO DENKO CORPORATION (JP) 2013-05-23 US disclosed
US-20130128339-A1 PHOTOREFRACTIVE COMPOSITION RESPONSIVE TO MULTIPLE LASER WAVELENGTHS ACROSS THE VISIBLE LIGHT SPECTRUM NITTO DENKO CORPORATION (JP) 2013-05-23 US disclosed
WO-2012018342-A1 PHOTOREFRACTIVE COMPOSITION RESPONSIVE TO MULTIPLE LASER WAVELENGTHS ACROSS THE VISIBLE LIGHT SPECTRUM NITTO DENKO CORPORATION (JP) 2012-02-09 WO disclosed
WO-2012018342-A1 PHOTOREFRACTIVE COMPOSITION RESPONSIVE TO MULTIPLE LASER WAVELENGTHS ACROSS THE VISIBLE LIGHT SPECTRUM NITTO DENKO CORPORATION (JP) 2012-02-09 WO disclosed