SCHEMBL29504871

SCHEMBL29504871

COc1ccc(C2=C(c3ccc(-c4ccc(N)cc4)cc3)C(=O)C(c3ccc(-c4ccc(N)cc4)cc3)=C2c2ccc(OC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.59
MAPK1 P28482 1/20 0.59
ALDH1A1 P00352 2/20 0.57
CYP3A4 P08684 1/20 0.57
ME2 P23368 1/20 0.55
ME1 P48163 1/20 0.55
ME3 Q16798 1/20 0.55
MAPT P10636 3/20 0.54
NPC1 O15118 2/20 0.54
TP53 P04637 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TSHR P16473 1/20 0.54
APP P05067 2/20 0.53
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL20299548 0.88 ME2 (0.67) TDP1MAPK1ME2ME1ME3
SCHEMBL10424199 0.86 ME2 (0.69) TDP1MAPK1ME2ME1ME3
SCHEMBL1926936 0.84 TDP1 (0.84) TDP1MAPK1ALDH1A1CYP3A4MAPT
SCHEMBL13569202 0.83 BACE1 (0.61) TDP1ALDH1A1ME2ME1ME3
SCHEMBL13585812 0.83 BACE1 (0.61) TDP1ALDH1A1ME2ME1ME3
SCHEMBL13141855 0.81 BACE1 (0.62) TDP1ALDH1A1ME2ME1ME3
SCHEMBL9723700 0.81 BACE1 (0.62) TDP1ALDH1A1ME2ME1ME3
SCHEMBL29504887 0.79 ALKBH3 (0.58) ALDH1A1CYP3A4SMN1; SMN2MAOBALKBH3
SCHEMBL4985207 0.78 TDP1 (0.73) TDP1MAPK1ALDH1A1CYP3A4MAPT
SCHEMBL13642216 0.77 MEN1 (0.56) ALDH1A1ME2ME1ME3MAPT

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