SCHEMBL3433267

SCHEMBL3433267

CNC(=O)Oc1ccc(-c2cc(C(Cc3ccccc3)NC(=O)C=Cc3cc(Cl)ccc3-n3cnnn3)c(Cl)nn2)cc1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F11 P03951 20/20 0.81
KLKB1 P03952 6/20 0.81
F10 P00742 5/20 0.81
PLG P00747 4/20 0.81
PLAT P00750 4/20 0.81
PROC P04070 2/20 0.81
F9 P00740 2/20 0.81
F2 P00734 1/20 0.81
PLAU P00749 1/20 0.81
PRSS1 P07477 1/20 0.81
PRSS2 P07478 1/20 0.81
F7 P08709 1/20 0.81
PRSS3 P35030 1/20 0.81

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
SCHEMBL478372 0.90 F11 (1.00) F11KLKB1F10PLGPLAT
SCHEMBL478373 0.90 F11 (1.00) F11KLKB1F10PLGPLAT
SCHEMBL478442 0.88 F11 (0.87) F11KLKB1F10PLGPLAT
SCHEMBL478576 0.87 F11 (0.75) F11KLKB1F10PLGPLAT
SCHEMBL478578 0.87 F11 (0.75) F11KLKB1F10PLGPLAT
SCHEMBL3436128 0.87 F11 (0.80) F11KLKB1F10PLGPLAT
SCHEMBL478474 0.84 F11 (1.00) F11KLKB1F10PLGPLAT
SCHEMBL478472 0.84 F11 (1.00) F11KLKB1F10PLGPLAT
SCHEMBL3431719 0.83 F11 (0.83) F11KLKB1F10PLGPLAT
SCHEMBL479095 0.83 F11 (0.90) F11KLKB1F10PLGPLAT

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-2265601-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2010-12-29 EP disclosed
WO-2009114677-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-17 WO disclosed