SCHEMBL28429030

SCHEMBL28429030

O=C(COCCO)Nc1cccc(Br)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.72
HPGD P15428 2/20 0.72
GAA P10253 2/20 0.59
MAPT P10636 5/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
XBP1 P17861 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
HTT P42858 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL2800153 0.80 ALDH1A1 (0.73) ALDH1A1HPGDGAAMAPTLMNA
SCHEMBL6085117 0.80 KMT2A (0.61) ALDH1A1HPGDGAAMAPTL3MBTL1
SCHEMBL28432483 0.80 HPGD (0.75) ALDH1A1HPGDGAAMAPTL3MBTL1
SCHEMBL28627031 0.79 GAA (0.72) ALDH1A1HPGDGAAMAPTL3MBTL1
SCHEMBL5142687 0.79 GAA (0.77) ALDH1A1HPGDGAAMAPTL3MBTL1
SCHEMBL22743048 0.77 L3MBTL1 (0.64) ALDH1A1HPGDGAAMAPTL3MBTL1
SCHEMBL28434647 0.76 KMT2A (0.81) ALDH1A1HPGDMAPTL3MBTL1LMNA
SCHEMBL3715355 0.76 GAA (0.72) ALDH1A1HPGDGAAMAPTL3MBTL1
SCHEMBL22743026 0.76 L3MBTL1 (0.63) ALDH1A1HPGDGAAL3MBTL1MEN1
SCHEMBL21931417 0.75 MAPT (0.71) ALDH1A1HPGDGAAMAPTLMNA

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
CN-111454170-B Acetanilide compound and preparation method and application thereof 五邑大学 2021-08-31 CN disclosed
CN-111454170-A Acetanilide compound and preparation method and application thereof 五邑大学 2020-07-28 CN disclosed