SCHEMBL6598342

SCHEMBL6598342

CC(C)(C)OC(=O)N1CCCC1C(=O)Nc1ccc(-c2ccccc2S(C)(=O)=O)cc1F.CSc1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)OC(C)(C)C)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.53
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.43
FPR2 P25090 5/20 0.43
FPR1 P21462 3/20 0.43
USP30 Q70CQ3 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL3830280 0.94 F10 (0.59) F10LMNANPSR1MEN1KMT2A
SCHEMBL3833613 0.94 NPSR1 (0.54) F10LMNANPSR1MEN1KMT2A
SCHEMBL6659227 0.91 NPSR1 (0.48) F10LMNANPSR1MEN1KMT2A
SCHEMBL3832241 0.85 F10 (0.56) F10LMNANPSR1MEN1KMT2A
SCHEMBL3830264 0.85 NPSR1 (0.59) LMNANPSR1MEN1KMT2ANPC1
SCHEMBL3833308 0.85 NPSR1 (0.59) F10LMNANPSR1MEN1KMT2A
SCHEMBL3830720 0.84 LMNA (0.52) F10LMNANPSR1MEN1KMT2A
SCHEMBL3830149 0.84 LMNA (0.52) F10LMNANPSR1MEN1KMT2A
SCHEMBL3832564 0.84 NPSR1 (0.54) F10LMNANPSR1MEN1KMT2A
SCHEMBL3834148 0.84 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