SCHEMBL6433457

SCHEMBL6433457

CC(=O)Nc1ccc2ncc(Br)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.53
MAPT P10636 6/20 0.53
KDM4E B2RXH2 5/20 0.53
RAB9A P51151 5/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
PABPC1 P11940 1/20 0.53
MALT1 Q9UDY8 1/20 0.52
GLA P06280 1/20 0.51
TNNI3 P19429 1/20 0.51
TNNT2 P45379 1/20 0.51
TNNC1 P63316 1/20 0.51
RUNX1 Q01196 1/20 0.51
CBFB Q13951 1/20 0.51
DYRK1A Q13627 2/20 0.51
DYRK1B Q9Y463 2/20 0.51
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
LDHA P00338 2/20 0.48
EGFR P00533 1/20 0.46

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
SCHEMBL20741514 0.88 KDM4E (0.64) NPC1MAPTKDM4ERAB9AMEN1
SCHEMBL20292801 0.88 MALT1 (0.58) NPC1MAPTKDM4ERAB9AMEN1
SCHEMBL21241308 0.83 NPC1 (0.54) NPC1MAPTKDM4ERAB9AMEN1
SCHEMBL31054236 0.81 MAOA (0.55) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL22926876 0.81 MALT1 (0.49) MALT1EGFRKDR
SCHEMBL29659720 0.81 MALT1 (0.49) MALT1EGFRKDR
SCHEMBL15447361 0.80 MAP4K4 (0.46) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL27883828 0.79 EGFR (0.57) NPC1MEN1KMT2APABPC1MALT1
SCHEMBL12298751 0.77 MEN1 (0.56) NPC1MAPTKDM4ERAB9AMEN1
SCHEMBL15690282 0.76 KDM4E (0.56) NPC1MAPTKDM4ERAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1680418-A Ketolactones, their use and process for their preparation and pharmaceutical compositions containing them ABBOTT LAB (US) 2005-10-12 CN disclosed
CN-1680419-A Ketolactones, their use and process for their preparation and pharmaceutical compositions containing them ABBOTT LAB (US) 2005-10-12 CN disclosed
CN-1680420-A Ketolactones, their use and process for their preparation and pharmaceutical compositions containing them ABBOTT LAB (US) 2005-10-12 CN disclosed
EP-1291351-B1 6-0 substituted ketolides having antibacterial activity ABBOTT LAB (US) 2005-07-13 EP disclosed
EP-0929563-B1 6-O-SUBSTITUTED KETOLIDES HAVING ANTIBACTERIAL ACTIVITY ABBOTT LAB (US) 2005-06-01 EP disclosed
EP-1291353-B1 6-O-substituted ketolides having antibacterial activity ABBOTT LAB (US) 2005-06-01 EP disclosed
EP-1291352-B1 6-O-substituted ketolides having antibacterial activity ABBOTT LAB (US) 2005-05-25 EP disclosed
EP-1291350-B1 6-0 substituted ketolides having antibacterial activity ABBOTT LAB (US) 2005-05-25 EP disclosed
EP-1291353-A1 6-O-substituted ketolides having antibacterial activity ABBOTT LABORATORIES (US) 2003-03-12 EP disclosed
EP-1291352-A1 6-O-substituted ketolides having antibacterial activity ABBOTT LABORATORIES (US) 2003-03-12 EP disclosed
EP-1291350-A1 6-0 substituted ketolides having antibacterial activity ABBOTT LABORATORIES (US) 2003-03-12 EP disclosed
EP-1291351-A1 6-0 substituted ketolides having antibacterial activity ABBOTT LABORATORIES (US) 2003-03-12 EP disclosed