SCHEMBL17716645

SCHEMBL17716645

N#CCCC1(CCC#N)C(=O)NC(=O)N(c2ccccc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CYP2C19 P33261 2/20 0.46
ELANE P08246 6/20 0.45
GRK5 P34947 1/20 0.37
TYRO3 Q06418 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
MGLL Q99685 1/20 0.37
MAPK1 P28482 1/20 0.36
PGR P06401 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ESR1 P03372 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL17716635 0.83 ELANE (0.53) ALDH1A1CYP2C19ELANEGRK5TYRO3
Phetharbital SCHEMBL78655 0.76 ELANE (0.71) ELANEGRK5TYRO3DYRK1BPGR
SCHEMBL17716634 0.74 NPSR1 (0.52) ALDH1A1CYP2C19ELANEMGLLMAPK1
SCHEMBL2047107 0.73 PGR (0.48) ALDH1A1CYP2C19ELANEGRK5TYRO3
SCHEMBL17716644 0.70 ELANE (0.46) ALDH1A1CYP2C19ELANETDP1MAPT
SCHEMBL19184838 0.68 CYP2C19 (0.47) ALDH1A1CYP2C19ELANETDP1MAPT
SCHEMBL17716271 0.67 GAA (0.42) ALDH1A1CYP2C19ELANETDP1MAPT
SCHEMBL17716264 0.67 TDP1 (0.42) ALDH1A1CYP2C19ELANETDP1HTT
SCHEMBL2050104 0.66 ELANE (0.43) ALDH1A1ELANEGRK5TYRO3DYRK1B
SCHEMBL2050106 0.66 ELANE (0.43) ALDH1A1ELANEGRK5TYRO3DYRK1B

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
US-9718933-B2 Optical film, and polarizing plate and liquid crystal display device employing same FUJIFILM CORPORATION (JP) 2017-08-01 US disclosed
US-20160122486-A1 OPTICAL FILM, AND POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE EMPLOYING SAME FUJIFILM CORPORATION (JP) 2016-05-05 US disclosed