SCHEMBL7220504

SCHEMBL7220504

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nccc2ccc(Br)cc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
SOS1 Q07889 1/20 0.39
SSTR4 P31391 1/20 0.37
PDPK1 O15530 1/20 0.36
NCEH1 Q6PIU2 3/20 0.36
AAK1 Q2M2I8 7/20 0.36
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BACE1 P56817 1/20 0.32
PSMB1 P20618 1/20 0.32
PSMB5 P28074 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL3743397 0.86 PDPK1 (0.37) SSTR4PDPK1AAK1HDAC3HDAC1
SCHEMBL3738636 0.84 SSTR4 (0.37) PLAUSSTR4PDPK1AAK1HDAC3
SCHEMBL7214930 0.82 PDPK1 (0.35) SSTR4PDPK1AAK1HDAC3HDAC1
SCHEMBL3733168 0.81 ROCK1 (0.38) PLAUSSTR4PDPK1AAK1HDAC3
SCHEMBL7219743 0.79 NR1H4 (0.41) HDAC3HDAC1HDAC6LMNABACE1
SCHEMBL7219745 0.79 NR1H4 (0.41) HDAC3HDAC1HDAC6LMNABACE1
SCHEMBL24493279 0.79 NCEH1 (0.42) PLGPLAUPLATSOS1SSTR4
SCHEMBL18779090 0.79 SSTR4 (0.36) SOS1SSTR4PDPK1NCEH1AAK1
SCHEMBL29650188 0.79 NCEH1 (0.42) PLGPLAUPLATSOS1SSTR4
SCHEMBL27760076 0.78 PLAU (0.41) PLGPLAUPLATSOS1SSTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6534535-B1 Administering indole derivative as anticoagulant MILLENNIUM PHARMACEUTICALS, INC. 2003-03-18 US disclosed
WO-2001012600-A9 INHIBITORS OF FACTOR Xa COR THERAPEUTICS INC (US) 2002-09-12 WO disclosed
US-6399627-B1 ANTICOAGULANTS; PROTHROMINASE, SERINE PROTEASE INHIBITOR; ACRYLAMIDE DERIVATIVES COR THERAPEUTICS, INC. 2002-06-04 US disclosed
EP-1189879-A1 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2002-03-27 EP disclosed
EP-1159264-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-12-05 EP disclosed
WO-2001012600-A1 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-02-22 WO disclosed
WO-2000071512-A1 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2000-11-30 WO disclosed
WO-2000047554-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS INC. (US) 2000-08-17 WO disclosed