SCHEMBL4936907

SCHEMBL4936907

CC(C)CC(=O)Nc1cc(-c2ccc(C(N)=O)cc2C(=O)O)cc([C@@H]2C[C@](C)(c3ccccc3)c3cc(C(=N)N)ccc3N2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F11 P03951 20/20 1.00
F7 P08709 20/20 1.00
F10 P00742 19/20 1.00
KLKB1 P03952 2/20 1.00
F2 P00734 1/20 1.00
PLG P00747 1/20 1.00
PLAU P00749 1/20 1.00
PLAT P00750 1/20 1.00
PROC P04070 1/20 1.00
PRSS1 P07477 1/20 1.00
PRSS2 P07478 1/20 1.00
PRSS3 P35030 1/20 1.00

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
SCHEMBL3542727 1.00 F11 (1.00) F11F7F10KLKB1F2
SCHEMBL29373024 1.00 F11 (1.00) F11F7F10KLKB1F2
SCHEMBL5845798 0.92 F11 (1.00) F11F7F10KLKB1F2
SCHEMBL5844887 0.92 F11 (0.91) F11F7F10KLKB1F2
SCHEMBL3541978 0.91 F11 (0.84) F11F7F10KLKB1F2
SCHEMBL4736431 0.91 F11 (0.87) F11F7F10KLKB1F2
SCHEMBL5845779 0.91 F11 (1.00) F11F7F10KLKB1F2
SCHEMBL4737355 0.91 F11 (0.86) F11F7F10KLKB1F2
SCHEMBL3549704 0.91 F11 (1.00) F11F7F10KLKB1F2
SCHEMBL5846273 0.90 F11 (0.87) F11F7F10KLKB1F2

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
US-20180340163-A1 RECOMBINANT SERINE PROTEASES ACADEMISCH ZIEKENHUIS LEIDEN (NL) 2018-11-29 US disclosed
US-20080026474-A1 ASSAY FOR DIFFERENTIATING COMPOUNDS THAT MODULATE THE EXTRINSIC AND/OR INTRINSIC COAGULATION PATHWAYS BRISTOL-MYERS SQUIBB COMPANY 2008-01-31 US disclosed