SCHEMBL8724429

SCHEMBL8724429

N#C/C=C(\C#N)c1ccc(/N=N/c2ccc(N3CCCC3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.46
ALDH1A1 P00352 8/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
RAB9A P51151 7/20 0.43
NPC1 O15118 6/20 0.43
LMNA P02545 5/20 0.43
HPGD P15428 4/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
ALOX15 P16050 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
TP53 P04637 3/20 0.38
MAPK1 P28482 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
HSD17B10 Q99714 2/20 0.38
HSP90AA1 P07900 1/20 0.38
PKM P14618 1/20 0.38
ALOX12 P18054 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL8724433 1.00 MAPT (0.46) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8724437 1.00 MAPT (0.46) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8722321 0.85 ALDH1A1 (0.35) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8722325 0.85 ALDH1A1 (0.35) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8722317 0.85 ALDH1A1 (0.35) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8724442 0.74 MEN1 (0.82) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3700494 0.73 ALDH1A1 (0.56) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3700499 0.73 ALDH1A1 (0.56) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3700496 0.73 ALDH1A1 (0.56) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6003812 0.72 NPC1 (0.51) MAPTALDH1A1MEN1KMT2ARAB9A

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