SCHEMBL29200328

SCHEMBL29200328

NC(=O)c1ccccc1OCc1ccc(NC(=O)Nc2cccc(F)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.65
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
LRRK2 Q5S007 2/20 0.56
PARP2 Q9UGN5 2/20 0.54
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
SGMS2 Q8NHU3 2/20 0.51
PPIA P62937 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
POLB P06746 1/20 0.50
AURKA O14965 2/20 0.49
RPS6KB1 P23443 2/20 0.49
AURKB Q96GD4 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL30802630 1.00 PARP1 (0.65) PARP1MEN1KMT2ALRRK2PARP2
SCHEMBL29200376 0.92 PARP1 (0.76) PARP1MEN1KMT2ALRRK2PARP2
SCHEMBL30802644 0.92 PARP1 (0.76) PARP1MEN1KMT2ALRRK2PARP2
SCHEMBL29200362 0.88 PARP1 (0.66) PARP1MEN1KMT2APARP2LMNA
SCHEMBL29200344 0.87 PPIA (0.65) PARP1MEN1KMT2ALRRK2PARP2
SCHEMBL30802647 0.87 PPIA (0.65) PARP1MEN1KMT2ALRRK2PARP2
SCHEMBL30802625 0.87 PARP1 (0.85) PARP1MEN1KMT2ALRRK2PARP2
SCHEMBL30802654 0.87 PARP1 (0.65) PARP1MEN1KMT2ALRRK2PARP2
SCHEMBL29200326 0.87 PARP1 (0.85) PARP1MEN1KMT2ALRRK2PARP2
SCHEMBL29200330 0.87 PARP1 (0.65) PARP1MEN1KMT2ALRRK2PARP2

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-117658868-A Benzamide derivative and preparation method and application thereof 中山大学 2024-03-08 CN claimed
CN-117658868-A Benzamide derivative and preparation method and application thereof 中山大学 2024-03-08 CN disclosed