SCHEMBL29504964

SCHEMBL29504964

Nc1ccc(-c2ccc(C3=C(c4ccc(-c5ccccc5)cc4)C(=O)C(c4ccc(-c5ccccc5)cc4)=C3c3ccc(-c4ccc(N)nc4)cc3)cc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.50
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
PIK3CG P48736 5/20 0.46
PIK3CD O00329 5/20 0.46
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
LTA4H P09960 1/20 0.42
DYRK1A Q13627 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
ALK Q9UM73 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 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
SCHEMBL68829 0.85 MAP4K4 (0.64) MAP4K4MKNK1MKNK2PIK3CGPIK3CD
SCHEMBL29568613 0.85 MAP4K4 (0.64) MAP4K4MKNK1MKNK2PIK3CGPIK3CD
SCHEMBL20704158 0.83 MAP4K4 (0.62) MAP4K4MKNK1MKNK2PIK3CGPIK3CD
SCHEMBL20160807 0.79 LMNA (0.52) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL17027804 0.78 MAP4K4 (0.72) MAP4K4MKNK1MKNK2PIK3CGPIK3CD
SCHEMBL29504869 0.77 CYP3A4 (0.65) KDM4EALDH1A1NPC1RAB9AMEN1
SCHEMBL29504938 0.77 CYP3A4 (0.65) KDM4EALDH1A1NPC1RAB9AMEN1
SCHEMBL29504933 0.77 CYP3A4 (0.65) KDM4EALDH1A1NPC1RAB9AMEN1
SCHEMBL4250744 0.77 PDE4B (0.52) KDM4EALDH1A1NPC1RAB9AMEN1
SCHEMBL20160837 0.77 PDE4B (0.52) KDM4EALDH1A1NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114213657-A Intrinsic black polyimide and preparation method and application thereof 湖南工业大学 2022-03-22 CN disclosed