SCHEMBL8720934

SCHEMBL8720934

N#CC=C(C#N)c1ccc(N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
MAPT P10636 6/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
RAB9A P51151 3/20 0.46
MAPK1 P28482 2/20 0.46
NPC1 O15118 3/20 0.43
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC16A3 O15427 1/20 0.37
SLC16A1 P53985 1/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
APP P05067 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
SCHEMBL28518099 1.00 ALDH1A1 (0.46) ALDH1A1MAPTL3MBTL1RAB9AMAPK1
SCHEMBL8720932 1.00 ALDH1A1 (0.46) ALDH1A1MAPTL3MBTL1RAB9AMAPK1
SCHEMBL28907102 0.94 ALDH1A1 (0.46) ALDH1A1MAPTL3MBTL1RAB9AMAPK1
SCHEMBL3977494 0.83 ALDH1A1 (0.49) ALDH1A1MAPTL3MBTL1RAB9AMAPK1
SCHEMBL11065106 0.83 ALDH1A1 (0.49) ALDH1A1MAPTL3MBTL1RAB9AMAPK1
SCHEMBL20365632 0.83 ALDH1A1 (0.49) ALDH1A1MAPTL3MBTL1RAB9AMAPK1
SCHEMBL7716072 0.81 ALDH1A1 (0.69) ALDH1A1MAPTL3MBTL1RAB9AMAPK1
SCHEMBL7905288 0.81 ALDH1A1 (0.69) ALDH1A1MAPTL3MBTL1RAB9AMAPK1
SCHEMBL7905291 0.81 ALDH1A1 (0.69) ALDH1A1MAPTL3MBTL1RAB9AMAPK1
SCHEMBL9915843 0.81 ALDH1A1 (0.69) ALDH1A1MAPTL3MBTL1RAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0868682-A1 ELECTRO- OR OPTO-OPTICAL DEVICE STABLE IN THE 600-1600 NANOMETER WAVELENGTH RANGE Akzo Nobel N.V. (NL) 1998-10-07 EP disclosed
US-5776375-A CONTAINING NONLINEAR OPTICALLY ACTIVE POLYMER AKZO NOBEL N.V. (NL) 1998-07-07 US disclosed
WO-1997023807-A1 ELECTRO- OR OPTO-OPTICAL DEVICE STABLE IN THE 600-1600 NANOMETER WAVELENGTH RANGE AKZO NOBEL N.V. (NL) 1997-07-03 WO disclosed
EP-0780722-A1 Electro-optical device stable in the 600-1600 nanometer wavelength range Akzo Nobel N.V. (NL) 1997-06-25 EP disclosed