SCHEMBL29664268

SCHEMBL29664268

O=C1c2ccc(Nc3ccc([N+](=O)[O-])cc3)cc2C(=O)c2cc(Nc3ccc([N+](=O)[O-])cc3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.58
ALOX12 P18054 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
PTPRC P08575 3/20 0.55
S100A4 P26447 2/20 0.55
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
CES1 P23141 1/20 0.53
PTPN1 P18031 1/20 0.52
CDC25A P30304 1/20 0.52
CDC25B P30305 1/20 0.52
KIF11 P52732 1/20 0.51
CXCR2 P25025 1/20 0.50
CASP3 P42574 2/20 0.49
CASP2 P42575 1/20 0.49
CASP7 P55210 1/20 0.49
CASP6 P55212 1/20 0.49
CASP8 Q14790 1/20 0.49
HSD17B10 Q99714 2/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL28394913 1.00 HPGD (0.58) HPGDALOX12L3MBTL1PTPRCS100A4
SCHEMBL7930693 0.87 CASP6 (0.48) HPGDALOX12L3MBTL1PTPRCS100A4
SCHEMBL28397382 0.86 CASP3 (0.67) CASP3CASP2CASP7CASP6CASP8
SCHEMBL29664094 0.85 KIF11 (0.53) HPGDALOX12L3MBTL1PTPRCS100A4
SCHEMBL28393339 0.84 L3MBTL1 (0.51) HPGDALOX12L3MBTL1PTPRCS100A4
SCHEMBL28401107 0.81 MAPT (0.62) CASP3CASP2CASP7CASP6CASP8
SCHEMBL4957626 0.81 HPGD (0.83) HPGDALOX12L3MBTL1ACHEKIF11
SCHEMBL395942 0.81 HPGD (0.83) HPGDALOX12L3MBTL1ACHEKIF11
SCHEMBL18289621 0.81 HPGD (0.83) HPGDALOX12L3MBTL1ACHEKIF11
SCHEMBL18289622 0.81 HPGD (0.83) HPGDALOX12L3MBTL1ACHEKIF11

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-111072960-B Polyimide with high barrier property and preparation method and application thereof 湖南工业大学 2022-04-01 CN disclosed