SCHEMBL8722327

SCHEMBL8722327

N#CC(C#N)=C(C#N)c1ccc(-c2ccc(N3CCCC3)cc2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
AR P10275 1/20 0.37
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
LMNA P02545 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TNNI3 P19429 1/20 0.34
TNNT2 P45379 1/20 0.34
TNNC1 P63316 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 2/20 0.33
PLA2G1B P04054 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL8992111 0.75 MAPT (0.51) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL14930769 0.74 EGFR (0.37) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8721180 0.71 MKNK1 (0.40) HDAC1HDAC6L3MBTL1IKBKB
SCHEMBL20154403 0.70 HSD17B1 (0.50) MAPTHDAC1HDAC6IKBKB
SCHEMBL4903297 0.70 ALDH1A1 (0.33) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4903301 0.70 ALDH1A1 (0.33) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL19439600 0.70 EGFR (0.42) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL11936936 0.69 MAPT (0.60) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11936935 0.69 MAPT (0.58) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL22466257 0.68 SNCA (0.43) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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
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
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