SCHEMBL6609686

SCHEMBL6609686

CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)OC(C)(C)C)c(F)c1.CC(C)(C)OC(=O)N1CCCC1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.54
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GPR119 Q8TDV5 1/20 0.47
NPC1 O15118 1/20 0.44
USP30 Q70CQ3 1/20 0.43
ALOX5AP P20292 3/20 0.41
FEN1 P39748 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
WNT3 P56703 2/20 0.41
SFRP1 Q8N474 2/20 0.41
UCHL1 P09936 1/20 0.41
JAK2 O60674 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL3832241 0.97 F10 (0.56) F10LMNANPSR1MEN1KMT2A
SCHEMBL3830280 0.88 F10 (0.59) F10LMNANPSR1MEN1KMT2A
SCHEMBL6598342 0.82 F10 (0.53) F10LMNANPSR1MEN1KMT2A
SCHEMBL7084714 0.81 F10 (0.80) F10NPSR1MEN1KMT2AALDH1A1
SCHEMBL7083057 0.81 F10 (0.80) F10NPSR1MEN1KMT2AALDH1A1
SCHEMBL3833613 0.81 NPSR1 (0.54) F10LMNANPSR1MEN1KMT2A
SCHEMBL3833239 0.81 GPR119 (0.51) LMNANPSR1MEN1KMT2AGPR119
SCHEMBL3833308 0.79 NPSR1 (0.59) F10LMNANPSR1MEN1KMT2A
SCHEMBL3830720 0.79 LMNA (0.52) F10LMNANPSR1MEN1KMT2A
SCHEMBL3834148 0.78 NPSR1 (0.54) F10LMNANPSR1MEN1KMT2A

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
EP-1465864-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE Warner-Lambert Company LLC (US) 2004-10-13 EP disclosed
WO-2003045912-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC (US) 2003-06-05 WO disclosed